molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL19611 |
|
IC50 |
= |
3.4 |
nM |
388.47 |
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C |
Homo sapiens |
CHEMBL952576 |
single protein format |
CHEMBL3355722 |
OBDepict
H
2
N
NH
H
O
NH
2
O
N
H
H
O
H
N
H
O
CH
3
CH
3
OH
|
IC50 |
= |
5.7 |
nM |
463.58 |
CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |
Homo sapiens |
CHEMBL3380041 |
single protein format |
CHEMBL3355723 |
OBDepict
OH
N
H
O
H
NH
O
H
3
C
CH
3
H
N
H
O
H
O
NH
2
N
H
O
F
|
IC50 |
= |
24.7 |
nM |
585.68 |
CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)c1ccc(F)cc1)C(N)=O |
Homo sapiens |
CHEMBL3380041 |
single protein format |
CHEMBL431226 |
OBDepict
O
N
OH
S
O
O
O
H
3
C
N
O
O
|
IC50 |
= |
220.0 |
nM |
540.64 |
Cc1cc(COc2ccc(S(=O)(=O)CC(C3CCC4(CC3)OCCO4)N(O)C=O)cc2)c2ccccc2n1 |
Homo sapiens |
CHEMBL718406 |
single protein format |
CHEMBL329967 |
OBDepict
O
N
OH
S
O
O
O
H
3
C
N
N
OH
|
IC50 |
= |
330.0 |
nM |
525.63 |
Cc1cc(COc2ccc(S(=O)(=O)CC(CC3CCC(=NO)CC3)N(O)C=O)cc2)c2ccccc2n1 |
Homo sapiens |
CHEMBL718406 |
single protein format |
CHEMBL99365 |
OBDepict
O
N
OH
S
O
O
O
H
3
C
N
O
|
IC50 |
= |
350.0 |
nM |
510.61 |
Cc1cc(COc2ccc(S(=O)(=O)CC(CC3CCC(=O)CC3)N(O)C=O)cc2)c2ccccc2n1 |
Homo sapiens |
CHEMBL718406 |
single protein format |
CHEMBL98390 |
OBDepict
O
N
OH
S
O
O
O
H
3
C
N
N
CH
3
CH
3
|
IC50 |
= |
350.0 |
nM |
553.73 |
Cc1cc(COc2ccc(S(=O)(=O)CC(CC3CCN(CC(C)C)CC3)N(O)C=O)cc2)c2ccccc2n1 |
Homo sapiens |
CHEMBL718406 |
single protein format |
CHEMBL328645 |
OBDepict
O
N
OH
S
O
O
O
CH
3
N
N
HO
|
IC50 |
= |
500.0 |
nM |
511.6 |
Cc1cc(COc2ccc(S(=O)(=O)CC(C3CCC(=NO)CC3)N(O)C=O)cc2)c2ccccc2n1 |
Homo sapiens |
CHEMBL718406 |
single protein format |
CHEMBL95414 |
OBDepict
O
N
OH
S
O
O
O
H
3
C
N
N
O
O
CH
3
CH
3
H
3
C
|
IC50 |
= |
550.0 |
nM |
595.72 |
Cc1cc(COc2ccc(S(=O)(=O)CC(C=C3CCN(OC(=O)C(C)(C)C)CC3)N(O)C=O)cc2)c2ccccc2n1 |
Homo sapiens |
CHEMBL718406 |
single protein format |
CHEMBL319782 |
OBDepict
O
N
OH
S
O
O
O
CH
3
N
O
|
IC50 |
= |
600.0 |
nM |
496.59 |
Cc1cc(COc2ccc(S(=O)(=O)CC(C3CCC(=O)CC3)N(O)C=O)cc2)c2ccccc2n1 |
Homo sapiens |
CHEMBL718406 |
single protein format |