molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4128763 |
|
IC50 |
< |
2.5 |
nM |
571.48 |
C[C@@H](C1CCCCC1)n1c(-c2cc3c(cc2Br)OCO3)nc2cc(C(=O)Nc3ccc(C#N)cc3)ccc21 |
Homo sapiens |
CHEMBL4309030 |
single protein format |
CHEMBL463763 |
OBDepict
O
O
H
CH
3
O
H
O
H
H
O
H
HO
CH
3
H
3
C
|
IC50 |
= |
23.0 |
nM |
360.41 |
CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2O |
Homo sapiens |
CHEMBL2432072 |
cell-based format |
CHEMBL2431717 |
OBDepict
H
3
C
O
NH
O
N
H
H
CH
3
H
H
3
C
O
HN
H
O
O
N
|
IC50 |
= |
500.0 |
nM |
498.62 |
CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1ccccc1OC |
Homo sapiens |
CHEMBL3757294 |
cell-based format |
CHEMBL3752235 |
OBDepict
CH
3
CH
3
H
N
H
H
N
H
O
O
NH
H
O
O
O
H
3
C
N
CH
3
|
IC50 |
= |
1000.0 |
nM |
540.71 |
CCC(C)Oc1ccccc1CNC(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)[C@@H](C)CC |
Homo sapiens |
CHEMBL3757294 |
cell-based format |
CHEMBL2431617 |
OBDepict
CH
3
CH
3
H
N
H
H
N
O
O
NH
H
O
O
N
|
IC50 |
= |
1000.0 |
nM |
546.71 |
CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCC2(C=Cc3ccccc32)CC1 |
Homo sapiens |
CHEMBL3757294 |
cell-based format |