molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3098768 |
|
IC50 |
= |
100.0 |
nM |
364.32 |
O=C(O)c1cc(C(F)(F)F)ccc1C(=O)Nc1ccc2c(n1)CCCC2 |
Homo sapiens |
CHEMBL3100581 |
single protein format |
CHEMBL3098767 |
OBDepict
O
N
H
N
O
HO
CH
3
F
F
F
CH
3
|
IC50 |
= |
170.0 |
nM |
338.29 |
Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2C(=O)O)nc1C |
Homo sapiens |
CHEMBL3100581 |
single protein format |
CHEMBL506981 |
OBDepict
CH
3
O
O
N
H
3
C
N
N
H
O
N
O
HO
Cl
|
IC50 |
= |
238.0 |
nM |
587.08 |
COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccnc2cc(Cl)ccc12 |
Homo sapiens |
CHEMBL2405877 |
single protein format |
CHEMBL3098745 |
OBDepict
CH
3
N
N
H
O
O
OH
F
F
F
|
IC50 |
= |
330.0 |
nM |
324.26 |
Cc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2C(=O)O)n1 |
Homo sapiens |
CHEMBL3100581 |
single protein format |
CHEMBL1852155 |
OBDepict
H
2
C
N
N
S
S
O
O
H
3
C
O
O
CH
3
N
|
IC50 |
= |
380.0 |
nM |
581.8 |
C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(Cc2ccccc2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1 |
Homo sapiens |
CHEMBL4629041 |
cell-based format |
CHEMBL3098765 |
OBDepict
Br
O
HO
N
H
O
N
N
CH
3
|
IC50 |
= |
490.0 |
nM |
336.15 |
Cc1nccc(NC(=O)c2ccc(Br)cc2C(=O)O)n1 |
Homo sapiens |
CHEMBL3100581 |
single protein format |
CHEMBL3098741 |
OBDepict
Br
O
HO
N
H
O
N
CH
3
|
IC50 |
= |
710.0 |
nM |
335.16 |
Cc1cccc(NC(=O)c2ccc(Br)cc2C(=O)O)n1 |
Homo sapiens |
CHEMBL3100581 |
single protein format |
CHEMBL3098752 |
OBDepict
CH
3
N
N
H
O
Cl
O
OH
Cl
|
IC50 |
= |
830.0 |
nM |
325.15 |
Cc1cccc(NC(=O)c2cc(Cl)c(Cl)cc2C(=O)O)n1 |
Homo sapiens |
CHEMBL3100581 |
single protein format |