molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4869265 |
|
IC50 |
= |
9.57 |
nM |
481.62 |
CN(C)C(=O)c1ccc2c(c1)c(C[C@H]1COCCN1c1nc3c(s1)C(=O)NC(C)(C)C3)cn2C |
Homo sapiens |
CHEMBL4807555 |
single protein format |
CHEMBL1765602 |
OBDepict
NH
2
N
N
N
O
F
F
F
|
IC50 |
= |
28.1 |
nM |
432.41 |
Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1 |
Homo sapiens |
CHEMBL1768558 |
single protein format |
CHEMBL3354566 |
OBDepict
N
N
O
N
CH
3
N
N
|
IC50 |
= |
34.0 |
nM |
467.53 |
Cn1c(=O)n(-c2ccc(C3(C#N)CC3)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21 |
Homo sapiens |
CHEMBL3376669 |
single protein format |
CHEMBL1879463 |
OBDepict
N
H
3
C
CH
3
N
O
N
H
3
C
N
N
|
IC50 |
= |
34.0 |
nM |
469.55 |
Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21 |
Homo sapiens |
CHEMBL3861267 |
single protein format |
CHEMBL1241857 |
OBDepict
CH
3
O
O
N
CH
3
HN
N
N
O
N
|
IC50 |
= |
47.0 |
nM |
351.37 |
COc1ccc2c(c1OC)N=C(NC(=O)c1cccnc1)N1CCN=C21 |
Homo sapiens |
CHEMBL3376669 |
single protein format |
CHEMBL3218571 |
OBDepict
S
N
H
S
O
N
O
O
Cl
F
|
IC50 |
= |
140.0 |
nM |
434.9 |
O=C1NC(=S)S/C1=C/c1ccc2c(c1)N(Cc1ccc(F)c(Cl)c1)C(=O)CO2 |
Homo sapiens |
CHEMBL3376669 |
single protein format |
CHEMBL3922359 |
OBDepict
S
N
H
S
O
N
O
O
Cl
F
|
IC50 |
= |
140.0 |
nM |
434.9 |
O=C1NC(=S)S/C1=Cc1ccc2c(c1)N(Cc1ccc(F)c(Cl)c1)C(=O)CO2 |
Homo sapiens |
CHEMBL3861260 |
cell-based format |
CHEMBL573339 |
OBDepict
OH
N
N
N
O
N
O
|
IC50 |
= |
1000.0 |
nM |
348.36 |
Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1 |
Homo sapiens |
CHEMBL3376669 |
single protein format |
CHEMBL3913354 |
OBDepict
OH
N
N
O
N
O
|
IC50 |
= |
1000.0 |
nM |
347.37 |
Oc1cccc(-c2cc3c(oc4ncccc43)c(N3CCOCC3)n2)c1 |
Homo sapiens |
CHEMBL3861260 |
cell-based format |