molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4448806 |
|
IC50 |
= |
1.0 |
nM |
332.4 |
COc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccncc3)cc2)c1 |
Homo sapiens |
CHEMBL4328711 |
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 |
= |
5.0 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL3807899 |
single protein format |
CHEMBL494089 |
OBDepict
CH
3
N
N
N
O
O
H
2
N
N
N
H
HN
OH
H
3
C
H
3
C
|
IC50 |
= |
33.0 |
nM |
425.49 |
CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@H]3CCCNC3)c21 |
Homo sapiens |
CHEMBL1028110 |
single protein format |
CHEMBL2177390 |
OBDepict
H
3
C
NH
CH
3
H
N
O
N
Cl
N
N
H
CH
3
H
HO
|
IC50 |
= |
98.0 |
nM |
458.01 |
CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL2187609 |
single protein format |
CHEMBL4438748 |
OBDepict
O
N
H
O
HN
O
O
O
N
CH
3
CH
3
|
IC50 |
= |
517.0 |
nM |
457.49 |
CN(C)c1ccc(C(=O)Nc2cccc(NC(=O)COc3ccc4c(=O)ccoc4c3)c2)cc1 |
Homo sapiens |
CHEMBL4379080 |
single protein format |