molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4225537 |
|
IC50 |
= |
88.0 |
nM |
523.66 |
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(C#N)CC2)C(C)(C)C)cc1 |
Homo sapiens |
CHEMBL4620018 |
single protein format |
CHEMBL3683782 |
OBDepict
N
N
N
O
N
H
N
CH
3
|
IC50 |
= |
180.0 |
nM |
277.29 |
Cc1ccnc(-n2[nH]cc(-c3ccc(C#N)nc3)c2=O)c1 |
Homo sapiens |
CHEMBL3705901 |
single protein format |
CHEMBL3344081 |
OBDepict
CH
3
N
H
O
H
H
3
C
H
3
C
CH
3
N
O
H
H
OH
NH
O
S
H
3
C
N
|
IC50 |
= |
185.0 |
nM |
472.61 |
CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C |
Homo sapiens |
CHEMBL4620018 |
single protein format |
CHEMBL3683779 |
OBDepict
H
N
N
N
O
N
|
IC50 |
= |
430.0 |
nM |
238.25 |
O=c1c(-c2cccnc2)c[nH]n1-c1ccccn1 |
Homo sapiens |
CHEMBL3705901 |
single protein format |
CHEMBL3683785 |
OBDepict
O
N
H
N
N
N
H
O
N
|
IC50 |
= |
700.0 |
nM |
385.43 |
O=C(Cc1ccccc1)NCc1ccnc(-n2[nH]cc(-c3cccnc3)c2=O)c1 |
Homo sapiens |
CHEMBL3705901 |
single protein format |
CHEMBL3683781 |
OBDepict
H
3
C
N
N
O
N
H
N
|
IC50 |
= |
760.0 |
nM |
252.28 |
Cc1ncccc1-c1c[nH]n(-c2ccccn2)c1=O |
Homo sapiens |
CHEMBL3705901 |
single protein format |
CHEMBL3683780 |
OBDepict
OH
N
N
N
H
O
N
|
IC50 |
= |
860.0 |
nM |
268.28 |
O=c1c(-c2cccnc2)c[nH]n1-c1ccc(CO)cn1 |
Homo sapiens |
CHEMBL3705901 |
single protein format |
CHEMBL3260851 |
OBDepict
O
N
H
H
N
H
HO
O
CH
3
H
2
N
S
H
3
C
N
|
IC50 |
= |
900.0 |
nM |
450.56 |
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2cccc(N)c2C)cc1 |
Homo sapiens |
CHEMBL4396993 |
single protein format |