molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL2203524 |
|
IC50 |
= |
7.0 |
nM |
444.54 |
COc1ccc(-n2ncc3ccc(Nc4ccc(N5CCN(C)CC5)c(OC)c4)nc32)cc1 |
Homo sapiens |
CHEMBL2216290 |
single protein format |
CHEMBL2203525 |
OBDepict
H
3
C
HN
O
H
N
H
H
N
H
S
O
O
CH
3
N
|
IC50 |
= |
11.0 |
nM |
362.46 |
CC(=O)NC[C@@H]1C[C@@H](NS(=O)(=O)c2cccc3cncc(C)c23)CN1 |
Homo sapiens |
CHEMBL2216290 |
single protein format |
CHEMBL2204239 |
OBDepict
CH
3
H
3
C
HN
N
O
N
O
H
S
|
IC50 |
= |
14.0 |
nM |
389.48 |
CC(C)c1ccc(NC(=O)c2cccs2)c(-c2nc3ccccc3[nH]c2=O)c1 |
Homo sapiens |
CHEMBL2216290 |
single protein format |
CHEMBL388978 |
OBDepict
CH
3
HN
H
H
O
H
O
N
H
3
C
H
3
C
N
O
N
H
|
IC50 |
= |
36.3 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328619 |
single protein format |
CHEMBL2203528 |
OBDepict
O
N
H
N
N
O
N
H
|
IC50 |
= |
76.0 |
nM |
342.36 |
O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1ccccn1 |
Homo sapiens |
CHEMBL2216290 |
single protein format |
CHEMBL2204241 |
OBDepict
F
NH
N
O
O
N
S
H
|
IC50 |
= |
78.0 |
nM |
365.39 |
O=C(Nc1cc(F)ccc1-c1nc2ccccc2[nH]c1=O)c1cccs1 |
Homo sapiens |
CHEMBL2216290 |
single protein format |
CHEMBL2204238 |
OBDepict
O
HN
S
N
O
O
N
H
F
F
F
|
IC50 |
= |
110.0 |
nM |
431.39 |
O=C(Nc1ccc(OC(F)(F)F)cc1-c1nc2ccccc2[nH]c1=O)c1cccs1 |
Homo sapiens |
CHEMBL2216290 |
single protein format |
CHEMBL2203530 |
OBDepict
F
N
H
O
N
O
N
H
|
IC50 |
= |
150.0 |
nM |
359.36 |
O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1ccc(F)cc1 |
Homo sapiens |
CHEMBL2216290 |
single protein format |
CHEMBL2204235 |
OBDepict
Cl
HN
N
O
N
O
H
S
|
IC50 |
= |
160.0 |
nM |
381.84 |
O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]c1=O)c1cccs1 |
Homo sapiens |
CHEMBL2216290 |
single protein format |
CHEMBL1992679 |
OBDepict
O
N
H
N
O
N
H
|
IC50 |
= |
170.0 |
nM |
341.37 |
O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1ccccc1 |
Homo sapiens |
CHEMBL2216290 |
single protein format |
CHEMBL2204237 |
OBDepict
CH
3
O
HN
N
O
N
O
H
S
|
IC50 |
= |
250.0 |
nM |
377.43 |
COc1ccc(NC(=O)c2cccs2)c(-c2nc3ccccc3[nH]c2=O)c1 |
Homo sapiens |
CHEMBL2216290 |
single protein format |
CHEMBL2204240 |
OBDepict
Cl
NH
N
O
O
N
S
H
|
IC50 |
= |
270.0 |
nM |
381.84 |
O=C(Nc1cc(Cl)ccc1-c1nc2ccccc2[nH]c1=O)c1cccs1 |
Homo sapiens |
CHEMBL2216290 |
single protein format |
CHEMBL1543343 |
OBDepict
OH
N
N
N
H
O
S
|
IC50 |
= |
280.0 |
nM |
347.4 |
O=C(Nc1ccccc1-c1nc2ccccc2nc1O)c1cccs1 |
Homo sapiens |
CHEMBL2216290 |
single protein format |
CHEMBL2203531 |
OBDepict
Cl
N
H
O
N
O
N
H
|
IC50 |
= |
300.0 |
nM |
375.82 |
O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL2216290 |
single protein format |
CHEMBL2203526 |
OBDepict
Cl
S
N
H
O
N
O
N
H
|
IC50 |
= |
380.0 |
nM |
381.84 |
O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1ccc(Cl)s1 |
Homo sapiens |
CHEMBL2216290 |
single protein format |
CHEMBL2204236 |
OBDepict
F
HN
N
O
N
O
H
S
|
IC50 |
= |
410.0 |
nM |
365.39 |
O=C(Nc1ccc(F)cc1-c1nc2ccccc2[nH]c1=O)c1cccs1 |
Homo sapiens |
CHEMBL2216290 |
single protein format |
CHEMBL2203527 |
OBDepict
O
N
H
N
S
N
O
N
H
|
IC50 |
= |
530.0 |
nM |
348.39 |
O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1nccs1 |
Homo sapiens |
CHEMBL2216290 |
single protein format |
CHEMBL2203529 |
OBDepict
O
N
H
N
N
O
N
H
|
IC50 |
= |
580.0 |
nM |
342.36 |
O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1cccnc1 |
Homo sapiens |
CHEMBL2216290 |
single protein format |
CHEMBL2203532 |
OBDepict
CH
3
O
N
H
O
N
O
N
H
|
IC50 |
= |
980.0 |
nM |
371.4 |
COc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]c2=O)cc1 |
Homo sapiens |
CHEMBL2216290 |
single protein format |