molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4753995 |
|
IC50 |
= |
150.0 |
nM |
285.35 |
Cc1nc(-c2ccc(-c3cccc4ccccc34)cc2)co1 |
Homo sapiens |
CHEMBL4710184 |
cell membrane format |
CHEMBL4791706 |
OBDepict
CH
3
O
N
O
H
3
C
|
IC50 |
= |
170.0 |
nM |
265.31 |
COc1ccc(-c2ccc(-c3coc(C)n3)cc2)cc1 |
Homo sapiens |
CHEMBL4710184 |
cell membrane format |
CHEMBL4859945 |
OBDepict
S
NH
N
H
N
N
Cl
N
OH
|
IC50 |
= |
210.0 |
nM |
498.01 |
Oc1ccc(-c2nn(-c3cccc(NC(=S)Nc4ccccc4)c3)cc2-c2ccncc2)cc1Cl |
Homo sapiens |
CHEMBL4817261 |
cell-based format |
CHEMBL4573280 |
OBDepict
O
NH
O
S
O
O
F
F
F
|
IC50 |
= |
214.0 |
nM |
455.5 |
O=C(Nc1ccc(OS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1)C1CCCCCCC1 |
Homo sapiens |
CHEMBL4342162 |
assay format |
CHEMBL4280275 |
OBDepict
H
3
C
N
O
N
CH
3
CH
3
Cl
|
IC50 |
= |
230.0 |
nM |
248.71 |
Cc1ccc(C(=O)n2nc(C)c(Cl)c2C)cc1 |
Homo sapiens |
CHEMBL4273107 |
cell-based format |
CHEMBL4585698 |
OBDepict
O
NH
O
S
O
O
F
|
IC50 |
= |
254.0 |
nM |
377.44 |
O=C(Nc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C1CCCCC1 |
Homo sapiens |
CHEMBL4342162 |
assay format |
CHEMBL4451311 |
OBDepict
O
HN
O
S
O
O
CH
3
|
IC50 |
= |
255.0 |
nM |
387.5 |
Cc1ccc(S(=O)(=O)Oc2ccc(NC(=O)C3CCCCCC3)cc2)cc1 |
Homo sapiens |
CHEMBL4342162 |
assay format |
CHEMBL4285649 |
OBDepict
CH
3
N
O
N
CH
3
CH
3
Cl
|
IC50 |
= |
320.0 |
nM |
248.71 |
Cc1ccccc1C(=O)n1nc(C)c(Cl)c1C |
Homo sapiens |
CHEMBL4273107 |
cell-based format |
CHEMBL298036 |
OBDepict
H
3
C
N
N
H
3
C
O
N
|
IC50 |
= |
350.0 |
nM |
201.23 |
Cc1cc(C)n(C(=O)c2ccncc2)n1 |
Homo sapiens |
CHEMBL4273107 |
cell-based format |
CHEMBL4162261 |
OBDepict
CH
3
O
O
N
CH
3
Cl
Br
F
F
F
|
IC50 |
= |
360.0 |
nM |
446.65 |
COc1ccc(OC)c(-c2cccc3c(Cl)c(Br)c(C(F)(F)F)nc23)c1 |
Homo sapiens |
CHEMBL4131383 |
assay format |
CHEMBL3797764 |
OBDepict
CH
3
S
O
O
O
N
H
O
|
IC50 |
= |
369.0 |
nM |
311.4 |
CCS(=O)(=O)Oc1ccc(NC(=O)C2CCCCC2)cc1 |
Homo sapiens |
CHEMBL4342162 |
assay format |
CHEMBL4159530 |
OBDepict
Cl
Br
N
Br
F
F
F
|
IC50 |
= |
390.0 |
nM |
389.4 |
FC(F)(F)c1nc2c(Br)cccc2c(Cl)c1Br |
Homo sapiens |
CHEMBL4131383 |
assay format |
CHEMBL4280333 |
OBDepict
H
2
N
N
O
N
O
H
CH
3
|
IC50 |
= |
410.0 |
nM |
217.23 |
Cc1cc(=O)n(C(=O)c2ccc(N)cc2)[nH]1 |
Homo sapiens |
CHEMBL4273107 |
cell-based format |
CHEMBL4283786 |
OBDepict
CH
3
O
CH
3
N
H
3
C
N
O
H
2
N
|
IC50 |
= |
510.0 |
nM |
321.38 |
Cc1ccc(Oc2c(C)nn(C(=O)c3ccc(N)cc3)c2C)cc1 |
Homo sapiens |
CHEMBL4273107 |
cell-based format |
CHEMBL4848343 |
OBDepict
CH
3
N
CH
3
N
N
N
H
O
S
O
O
|
IC50 |
= |
550.0 |
nM |
344.4 |
CN(C)c1ccnc2c1ccn2C(=O)NS(=O)(=O)c1ccccc1 |
Homo sapiens |
CHEMBL4817263 |
cell-based format |
CHEMBL4850521 |
OBDepict
H
3
C
S
HN
O
O
N
O
N
Br
|
IC50 |
= |
590.0 |
nM |
394.25 |
Cc1ccc(S(=O)(=O)NC(=O)n2ccc3cc(Br)cnc32)cc1 |
Homo sapiens |
CHEMBL4817263 |
cell-based format |
CHEMBL243638 |
OBDepict
Cl
N
O
N
H
3
C
CH
3
Cl
|
IC50 |
= |
630.0 |
nM |
269.13 |
Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Cl |
Homo sapiens |
CHEMBL4273107 |
cell-based format |
CHEMBL4476115 |
OBDepict
O
HN
O
S
O
O
CH
3
CH
3
CH
3
|
IC50 |
= |
807.0 |
nM |
415.56 |
CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc(NC(=O)C3CCCCC3)cc2)cc1 |
Homo sapiens |
CHEMBL4342162 |
assay format |
CHEMBL3798550 |
OBDepict
O
NH
O
S
O
O
H
3
C
|
IC50 |
= |
856.0 |
nM |
359.45 |
Cc1ccc(S(=O)(=O)Oc2ccc(NC(=O)C3CCCC3)cc2)cc1 |
Homo sapiens |
CHEMBL4342162 |
assay format |
CHEMBL4859229 |
OBDepict
Cl
S
HN
O
O
N
O
N
|
IC50 |
= |
880.0 |
nM |
335.77 |
O=C(NS(=O)(=O)c1ccc(Cl)cc1)n1ccc2cccnc21 |
Homo sapiens |
CHEMBL4817263 |
cell-based format |