ChEMBL ID
stringlengths
12
13
Assay Type
stringclasses
6 values
Description
stringlengths
18
991
Organism
stringclasses
304 values
Compounds
stringclasses
166 values
Activities
stringclasses
176 values
BAO Format ID
stringclasses
14 values
BAO Format
stringclasses
14 values
Confidence Score
stringclasses
10 values
Confidence Label
stringclasses
10 values
Strain
stringlengths
1
52
Source
stringclasses
17 values
Tax ID
stringclasses
283 values
Tissue ChEMBL ID
stringclasses
67 values
Tissue Name
stringclasses
70 values
Cell Type
stringclasses
314 values
Subcellular Fraction
stringclasses
14 values
Document ChEMBL ID
stringlengths
13
13
PubMed ID
stringlengths
3
8
DOI
stringlengths
3
31
Year
stringclasses
49 values
Journal
stringclasses
26 values
Volume
stringclasses
244 values
First Page
stringlengths
1
6
Last Page
stringlengths
1
6
Assay Parameters
stringclasses
285 values
Assay Classification L1
stringclasses
37 values
Assay Classification L2
stringclasses
90 values
Assay Classification L3
stringclasses
134 values
Variant Sequence Accession
stringclasses
21 values
Variant Sequence Mutation
stringclasses
50 values
CHEMBL5143199
B
Inhibition of recombinant SARS-COV2 main protease expressed in Escherichia coli Rosetta cells at 5 uM using DABCYL-KTSAVLQSGFRKME-EDANS as substrate pre-incubated for 60 mins followed by substarte addition measured at 5 min by FRET-based assay relative to control
Severe acute respiratory syndrome coronavirus 2
1
1
BAO_0000219
cell-based format
9
9 - Direct single protein target assigned
nan
Scientific Literature
2697049
nan
nan
nan
nan
CHEMBL5137122
36098617
10.1021/acs.jnatprod.2c00521
2022
J Nat Prod
85
2340
2350
nan
nan
nan
nan
nan
nan
CHEMBL5233152
F
Synergistic antibacterial activity against Klebsiella pneumoniae B9 assessed as reduction in colony forming unit at 5 uM measured at 6 to 24 hrs in the presence of 4 ug/ml of colistin by time-kill assay
Klebsiella pneumoniae
1
1
BAO_0000218
organism-based format
1
1 - Target assigned is non-molecular
B9
Scientific Literature
573
nan
nan
nan
nan
CHEMBL5230178
36846374
10.1039/d2md00370h
2023
RSC Med Chem
14
247
252
nan
nan
nan
nan
nan
nan
CHEMBL4199288
B
Inhibition of human lung tryptase using Z-glypro-arg-AMC incubated for 3 mins by spectrophotometry
Homo sapiens
1
1
BAO_0000224
protein format
5
5 - Multiple direct protein targets may be assigned
nan
Scientific Literature
9606
nan
nan
nan
nan
CHEMBL4196099
29775297
10.1021/acs.jmedchem.8b00173
2018
J Med Chem
61
7425
7447
nan
nan
nan
nan
nan
nan
CHEMBL5233492
F
Antibacterial activity against Mycobacterium tuberculosis
Mycobacterium tuberculosis
2
2
BAO_0000218
organism-based format
1
1 - Target assigned is non-molecular
nan
Scientific Literature
1773
nan
nan
nan
nan
CHEMBL5233210
31761383
10.1016/j.ejmech.2019.111893
2020
Eur J Med Chem
186
111893
111893
nan
nan
nan
nan
nan
nan
CHEMBL5159782
F
Antiviral activity against influenza A virus H5N1 infected in dog MDCK cells assessed as inhibition of virus particles replication at 1 uM incubated for 48 hrs by crystal violet staining based plaque formation assay
Influenza A virus
1
1
BAO_0000218
organism-based format
1
1 - Target assigned is non-molecular
H5N1
Scientific Literature
11320
nan
nan
MDCK
nan
CHEMBL5154759
35212527
10.1021/acs.jmedchem.1c01257
2022
J Med Chem
65
3814
3832
nan
nan
nan
nan
nan
nan
CHEMBL5098361
F
Synergistic antibacterial activity against carbapenem-resistant Klebsiella pneumoniae expressing NDM-1 measured after 18 hrs in the presence of meropenem
Klebsiella pneumoniae
1
1
BAO_0000218
organism-based format
1
1 - Target assigned is non-molecular
nan
Scientific Literature
573
nan
nan
nan
nan
CHEMBL5096195
34225181
10.1016/j.ejmech.2021.113667
2021
Eur J Med Chem
223
113667
113667
nan
nan
nan
nan
nan
nan
CHEMBL5036109
F
Protection against Influenza A virus (A/Puerto Rico/8/34 (H1N1)) infected in Balb/c mouse at 4.2 uM/kg, IN administered once daily for 7 days starting from 24 hrs post viral infection
Influenza A virus
1
1
BAO_0000218
organism-based format
1
1 - Target assigned is non-molecular
A/Puerto Rico/8/1934(H1N1)
Scientific Literature
11320
nan
nan
nan
nan
CHEMBL5034038
34797984
10.1021/acs.jmedchem.1c01531
2021
J Med Chem
64
17403
17412
nan
nan
nan
nan
nan
nan
CHEMBL5034152
F
Anti-tumor activity against mouse lewis lung carcinoma cells allografted in C57BL6 mouse assessed as reduction in tumor growth at 2 mg/kg, ig for 21 days relative to control
Mus musculus
1
1
BAO_0000218
organism-based format
0
0 - Default value - Target unknown or has yet to be assigned
nan
Scientific Literature
10090
nan
nan
Lewis lung carcinoma cell line
nan
CHEMBL5033993
34037385
10.1021/acs.jmedchem.1c00370
2021
J Med Chem
64
7646
7666
nan
nan
nan
nan
nan
nan
CHEMBL4010211
F
Antibacterial activity against Pseudomonas aeruginosa PA1145 in BALB/c mouse model of lung infection assessed as reduction in log10CFU per gram of lung at 15 mg/kg, iv bid administered 2 to 12 hrs of post-infection measured after 24 hrs relative to untreated control
Pseudomonas aeruginosa
1
1
BAO_0000218
organism-based format
1
1 - Target assigned is non-molecular
PA1145
Scientific Literature
287
nan
nan
nan
nan
CHEMBL4007456
28248499
10.1021/acs.jmedchem.6b01903
2017
J Med Chem
60
2498
2512
nan
nan
nan
nan
nan
nan
CHEMBL5105375
T
Toxicity in BALB/c nude mouse xenografted with human NCI-H460 cells assessed as morphological change in lung at 0.2 mg/kg administered ip, qd for 2 weeks
Mus musculus
1
1
BAO_0000218
organism-based format
0
0 - Default value - Target unknown or has yet to be assigned
BALB/c nude
Scientific Literature
10090
CHEMBL3638235
Lung
NCI-H460
nan
CHEMBL5104115
35617856
10.1016/j.ejmech.2022.114463
2022
Eur J Med Chem
238
114463
114463
nan
nan
nan
nan
nan
nan
CHEMBL5235082
F
Antitubercular activity against Mycobacterium tuberculosis H37 Rv ATCC 27294 incubated for 7 days by Alamar blue assay
Mycobacterium tuberculosis
2
2
BAO_0000218
organism-based format
1
1 - Target assigned is non-molecular
H37 Rv ATCC 27294
Scientific Literature
1773
nan
nan
nan
nan
CHEMBL5233258
32731188
10.1016/j.ejmech.2020.112609
2020
Eur J Med Chem
204
112609
112609
nan
nan
nan
nan
nan
nan
CHEMBL5235188
F
Antibacterial activity against Mycobacterium tuberculosis H37Rv MTCC 200 strain assessed as bacterial growth inhibition
Mycobacterium tuberculosis
1
1
BAO_0000218
organism-based format
1
1 - Target assigned is non-molecular
H37Rv MTCC 200
Scientific Literature
1773
nan
nan
nan
nan
CHEMBL5233261
33388593
10.1016/j.ejmech.2020.113069
2021
Eur J Med Chem
212
113069
113069
nan
nan
nan
nan
nan
nan
CHEMBL5261296
F
Antiviral activity against oseltamivir resistant Influenza A virus A/Georgia/20/2006 (H1N1) infected in MDCK cells incubated for 72 hrs by cell protection assay
Influenza A virus
1
1
BAO_0000218
organism-based format
1
1 - Target assigned is non-molecular
A/Georgia/20/2006 (H1N1)
Scientific Literature
11320
nan
nan
MDCK
nan
CHEMBL5260803
28197322
10.1021/acsmedchemlett.6b00486
2017
ACS Med Chem Lett
8
256
260
nan
nan
nan
nan
nan
nan
CHEMBL4815677
F
Antimycobacterial activity against Mycobacterium tuberculosis H37Rv incubated for 5 days by microplate alamar blue assay
Mycobacterium tuberculosis
16
16
BAO_0000218
organism-based format
1
1 - Target assigned is non-molecular
H37Rv
Scientific Literature
1773
nan
nan
nan
nan
CHEMBL4813957
33588179
10.1016/j.ejmech.2021.113266
2021
Eur J Med Chem
215
113266
113266
nan
nan
nan
nan
nan
nan
CHEMBL5108869
A
Ex vivo biodistribution in SJL mouse lung at 3.7 MBq,iv measured after 30 mins in presence of C-11 radiotracer by gamma counter method
Mus musculus
1
1
BAO_0000218
organism-based format
0
0 - Default value - Target unknown or has yet to be assigned
SJL
Scientific Literature
10090
CHEMBL3638235
Lung
nan
nan
CHEMBL5107960
35308025
10.1039/d1md00357g
2022
RSC Med Chem
13
202
207
nan
nan
nan
nan
nan
nan
CHEMBL4881605
F
Lung NCI-1-1460 cell line MDS Pharma Services Proliferation Assay
Homo sapiens
1
8
BAO_0000219
cell-based format
0
0 - Default value - Target unknown or has yet to be assigned
nan
Donated Chemical Probes - SGC Frankfurt
9606
nan
nan
Lung NCI-1-1460
nan
CHEMBL4507274
nan
10.6019/CHEMBL4507274
2021
nan
nan
nan
nan
nan
nan
nan
nan
nan
nan
CHEMBL5143159
F
Antiviral activity against Influenza A virus A/WSN/33(H1N1) infected in HEK293T cells assessed as inhibition of viral replication at 50 uM by Gaussia luciferase assay
Influenza A virus
1
1
BAO_0000218
organism-based format
1
1 - Target assigned is non-molecular
A/WSN/33(H1N1)
Scientific Literature
11320
nan
nan
HEK293T
nan
CHEMBL5137116
36040315
10.1021/acs.jnatprod.2c00335
2022
J Nat Prod
85
2142
2148
nan
nan
nan
nan
nan
nan
CHEMBL5215160
F
Antimycobacterial activity against Mycobacterium tuberculosis H37Rv assessed as reduction in bacterial growth and measured after 7 days by resazurin assay
Mycobacterium tuberculosis
1
1
BAO_0000218
organism-based format
1
1 - Target assigned is non-molecular
H37Rv
Scientific Literature
1773
nan
nan
nan
nan
CHEMBL5214886
33190957
10.1016/j.ejmech.2020.112967
2021
Eur J Med Chem
210
112967
112967
nan
nan
nan
nan
nan
nan
CHEMBL5247890
F
Synergistic antibacterial activity against Klebsiella pneumoniae 11978 producing OXA-48 assessed as cefepime MIC at 8 ug/ml by broth microdilution method
Klebsiella pneumoniae
3
3
BAO_0000218
organism-based format
1
1 - Target assigned is non-molecular
nan
Scientific Literature
573
nan
nan
nan
nan
CHEMBL5247575
29627985
10.1021/acs.jmedchem.8b00091
2018
J Med Chem
61
4067
4086
nan
nan
nan
nan
nan
nan
CHEMBL5260257
B
Inhibition of full length SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) using Dacyl-KTSAVLQSGFRKME-Edans fluorogenic peptide as substrate pre-incubated for 10 mins followed by substrate addition by FRET assay
Severe acute respiratory syndrome coronavirus 2
6
6
BAO_0000019
assay format
9
9 - Direct single protein target assigned
nan
Scientific Literature
2697049
nan
nan
nan
nan
CHEMBL5257128
37187077
10.1016/j.bmc.2023.117316
2023
Bioorg Med Chem
87
117316
117316
nan
nan
nan
nan
nan
nan
CHEMBL5216483
F
Antiviral activity against SARS-CoV-2 isolate 2019-nCoV/Italy-INMI1 infected in African green monkey Vero E6 cells assessed as reduction in viral replication at MOI of 0.01 incubated for 5 days by qRT-PCR analysis
Severe acute respiratory syndrome coronavirus 2
2
2
BAO_0000218
organism-based format
1
1 - Target assigned is non-molecular
2019-nCoV/Italy-INMI1
Scientific Literature
2697049
nan
nan
Vero E6
nan
CHEMBL5214928
35899912
10.1021/acs.jmedchem.2c00755
2022
J Med Chem
65
10195
10216
nan
nan
nan
nan
nan
nan
CHEMBL5040410
A
Drug accumulation in mouse 4T1 cells implanted female BALB/c mouse lung at 0.5 mg/kg, iv by fluorescence detector
Mus musculus
1
1
BAO_0000218
organism-based format
0
0 - Default value - Target unknown or has yet to be assigned
BALB/c
Scientific Literature
10090
CHEMBL3638235
Lung
4T1
nan
CHEMBL5038609
34547508
10.1016/j.ejmech.2021.113851
2021
Eur J Med Chem
226
113851
113851
nan
nan
nan
nan
nan
nan
CHEMBL4365274
F
Antitubercular activity against Mycobacterium tuberculosis H37Rv ATCC 27294 assessed as bacterial growth inhibition incubated for 5 days by standard microdilution method
Mycobacterium tuberculosis
1
1
BAO_0000218
organism-based format
1
1 - Target assigned is non-molecular
H37Rv ATCC 27294
Scientific Literature
1773
nan
nan
nan
nan
CHEMBL4364263
31195172
10.1016/j.ejmech.2019.05.082
2019
Eur J Med Chem
178
315
328
nan
nan
nan
nan
nan
nan
CHEMBL5120223
A
Drug elimination in ICR mouse lung at 100 mg/kg, ip measured for 1.5 hrs by UPLC-MS/MS analysis
Mus musculus
1
1
BAO_0000218
organism-based format
0
0 - Default value - Target unknown or has yet to be assigned
ICR
Scientific Literature
10090
CHEMBL3638235
Lung
nan
nan
CHEMBL5113532
36089748
10.1021/acs.jmedchem.2c00532
2022
J Med Chem
65
11970
11984
nan
nan
nan
nan
nan
nan
CHEMBL5259546
F
Antiviral activity against Influenza B virus infected in dog MDCK cells assessed as inhibition of viral replication measured after 15 to 30 mins by neutral red dye based analysis
Influenza B virus
1
1
BAO_0000218
organism-based format
1
1 - Target assigned is non-molecular
nan
Scientific Literature
11520
nan
nan
MDCK
nan
CHEMBL5257097
37077387
10.1021/acsmedchemlett.3c00048
2023
ACS Med Chem Lett
14
506
513
nan
nan
nan
nan
nan
nan
CHEMBL5259549
T
Cytotoxicity against dog MDCK cells infected with Influenza A virus H3N2 assessed as reduction in cell viability by visual analysis
Canis lupus familiaris
1
1
BAO_0000219
cell-based format
1
1 - Target assigned is non-molecular
nan
Scientific Literature
9615
nan
nan
MDCK
nan
CHEMBL5257097
37077387
10.1021/acsmedchemlett.3c00048
2023
ACS Med Chem Lett
14
506
513
nan
nan
nan
nan
nan
nan
CHEMBL5265568
F
Antitubercular activity against Mycobacterium tuberculosis H37Rv assessed as bacterial growth inhibition
Mycobacterium tuberculosis
12
12
BAO_0000218
organism-based format
1
1 - Target assigned is non-molecular
H37Rv
Scientific Literature
1773
nan
nan
nan
nan
CHEMBL5260858
36804747
10.1016/j.bmc.2023.117212
2023
Bioorg Med Chem
81
117212
117212
nan
nan
nan
nan
nan
nan
CHEMBL4022752
T
Toxicity in diabetic ZDF rat assessed as increase in cyclin D1 mRNA levels in lung administered at 130 mg/kg/day infused over 20 hrs
Rattus norvegicus
1
1
BAO_0000218
organism-based format
1
1 - Target assigned is non-molecular
ZDF
Scientific Literature
10116
CHEMBL3638235
Lung
nan
nan
CHEMBL4020814
29016121
10.1021/acs.jmedchem.7b00922
2017
J Med Chem
60
8482
8514
nan
ALIMENTARY TRACT AND METABOLISM | ALIMENTARY TRACT AND METABOLISM
Genetically Diabetic Animals | Measurement of Blood Glucose-Lowering and Antidiabetic Activity
Spontaneously Diabetic Rats: BB Rat, WBN/Kob Rat, Cohen Diabetic Rat, Goto-Kakizaki Rat, Zucker-Fatty Rat, Zucker Diabetic Fatty Rat Zdf/Drt-Fa, Wdf/Ta-Fa Rat, OLETF Rat, ESS-Rat, Obese SHR Rat, SHR/N-cp Rat, BHE Rat, LEW.1AR1/Ztm-iddm RAT | General Anti-Diabetic Activity
nan
nan
CHEMBL5225100
F
Antiviral activity against SARS-CoV-2 infected in human Calu-3 cells assessed as reduction in viral RNA level measured after 24 hrs by quantitative PCR analysis
Severe acute respiratory syndrome coronavirus 2
1
1
BAO_0000218
organism-based format
1
1 - Target assigned is non-molecular
nan
Scientific Literature
2697049
nan
nan
Calu-3
nan
CHEMBL5223130
36169610
10.1021/acs.jmedchem.2c01005
2022
J Med Chem
65
12500
12534
nan
nan
nan
nan
nan
nan
CHEMBL5158458
T
Toxicity in ICR mouse allografted with mouse H22 cells assessed as effect on lung morphology at 10 to 20 mg/kg, iv administered once a day for 21 days after 7 days of tumor implantation by H and E staining method
Mus musculus
1
1
BAO_0000218
organism-based format
0
0 - Default value - Target unknown or has yet to be assigned
ICR
Scientific Literature
10090
CHEMBL3638235
Lung
nan
nan
CHEMBL5154722
35121201
10.1016/j.ejmech.2022.114155
2022
Eur J Med Chem
231
114155
114155
nan
nan
nan
nan
nan
nan
CHEMBL5096248
F
Antiviral activity against SARS-CoV-2
Severe acute respiratory syndrome coronavirus 2
1
1
BAO_0000218
organism-based format
1
1 - Target assigned is non-molecular
nan
Scientific Literature
2697049
nan
nan
nan
nan
CHEMBL5096141
33191083
10.1016/j.bmc.2020.115860
2021
Bioorg Med Chem
29
115860
115860
nan
nan
nan
nan
nan
nan
CHEMBL5216115
F
Antitubercular activity against Mycobacterium tuberculosis H37Rv ATCC 25618 assessed as bacterial growth inhibition
Mycobacterium tuberculosis
1
1
BAO_0000218
organism-based format
1
1 - Target assigned is non-molecular
H37Rv ATCC 25618
Scientific Literature
1773
nan
nan
nan
nan
CHEMBL5214920
35597009
10.1016/j.ejmech.2022.114454
2022
Eur J Med Chem
238
114454
114454
nan
nan
nan
nan
nan
nan
CHEMBL5225104
F
Antiviral activity against SARS-CoV-2 2019-nCoV/USA_WA1/2020 infected in African green monkey Vero E6 cells assessed as reduction in virus induced cytopathic effect measured after 72 hrs
Severe acute respiratory syndrome coronavirus 2
1
1
BAO_0000218
organism-based format
1
1 - Target assigned is non-molecular
2019-nCoV/USA_WA1/2020
Scientific Literature
2697049
nan
nan
Vero E6
nan
CHEMBL5223130
36169610
10.1021/acs.jmedchem.2c01005
2022
J Med Chem
65
12500
12534
nan
nan
nan
nan
nan
nan
CHEMBL5225116
B
Inhibition of SARS-CoV-2 Main protease by FRET assay
Severe acute respiratory syndrome coronavirus 2
7
7
BAO_0000357
single protein format
9
9 - Direct single protein target assigned
nan
Scientific Literature
2697049
nan
nan
nan
nan
CHEMBL5223130
36169610
10.1021/acs.jmedchem.2c01005
2022
J Med Chem
65
12500
12534
nan
nan
nan
nan
nan
nan
CHEMBL5229468
T
Selectivity index, ratio of IC50 for cytotoxicity against mouse pulmonary fibroblast cells to IC50 for cytotoxicity against mouse B16-F10 cells
nan
2
2
BAO_0000219
cell-based format
0
0 - Default value - Target unknown or has yet to be assigned
nan
Scientific Literature
nan
nan
nan
nan
nan
CHEMBL5226367
36542806
10.1021/acs.jnatprod.2c00880
2023
J Nat Prod
86
166
175
nan
nan
nan
nan
nan
nan
CHEMBL5258998
F
Antibacterial activity against Streptococcus pneumoniae
Streptococcus pneumoniae
1
1
BAO_0000218
organism-based format
1
1 - Target assigned is non-molecular
nan
Scientific Literature
1313
nan
nan
nan
nan
CHEMBL5257082
37030567
10.1016/j.bmcl.2023.129276
2023
Bioorg Med Chem Lett
87
129276
129276
nan
nan
nan
nan
nan
nan
CHEMBL5215165
F
Antimycobacterial activity against Mycobacterium tuberculosis H37Rv assessed as reduction in bacterial growth by MABA analysis
Mycobacterium tuberculosis
7
7
BAO_0000218
organism-based format
1
1 - Target assigned is non-molecular
H37Rv
Scientific Literature
1773
nan
nan
nan
nan
CHEMBL5214886
33190957
10.1016/j.ejmech.2020.112967
2021
Eur J Med Chem
210
112967
112967
nan
nan
nan
nan
nan
nan
CHEMBL5159780
F
Antiviral activity against influenza A virus H5N1 infected in dog MDCK cells assessed as reduction in viral nucleoprotein expression at 0.8 uM measured at 12 hrs post infection by Western blot analysis
Influenza A virus
1
1
BAO_0000218
organism-based format
1
1 - Target assigned is non-molecular
H5N1
Scientific Literature
11320
nan
nan
MDCK
nan
CHEMBL5154759
35212527
10.1021/acs.jmedchem.1c01257
2022
J Med Chem
65
3814
3832
nan
nan
nan
nan
nan
nan
CHEMBL5227019
F
Antiviral activity against SARS-CoV-2 infected in Vero E6 cells assessed as reduction in viral replication measured after 24 hrs by plaque-reduction assay
Severe acute respiratory syndrome coronavirus 2
2
2
BAO_0000218
organism-based format
1
1 - Target assigned is non-molecular
nan
Scientific Literature
2697049
nan
nan
nan
nan
CHEMBL5226291
33486200
10.1016/j.ejmech.2021.113157
2021
Eur J Med Chem
213
113157
113157
nan
nan
nan
nan
nan
nan
CHEMBL5231922
F
Antimycobacterial activity against Mycobacterium tuberculosis H37Rv at 32 microg/ml measured for 48 hrs under hypoxia condition by resazurin dye based microplate reader analysis relative to control
Mycobacterium tuberculosis
4
4
BAO_0000218
organism-based format
1
1 - Target assigned is non-molecular
H37Rv
Scientific Literature
1773
nan
nan
nan
nan
CHEMBL5230134
33151678
10.1021/acs.jmedchem.0c01372
2020
J Med Chem
63
15726
15751
nan
nan
nan
nan
nan
nan
CHEMBL5243945
T
Toxicity in ICR mouse xenografted with human H22 cells assessed as abnormalities in lung at 20 mg/kg, iv administered for 21 days
Mus musculus
1
1
BAO_0000218
organism-based format
0
0 - Default value - Target unknown or has yet to be assigned
ICR
Scientific Literature
10090
CHEMBL3638235
Lung
nan
nan
CHEMBL5241127
36640595
10.1016/j.bmc.2023.117156
2023
Bioorg Med Chem
79
117156
117156
nan
nan
nan
nan
nan
nan