molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3144403 |
|
IC50 |
= |
1.0 |
nM |
514.48 |
NC(=O)C[C@H](NC(=O)C1(NC(=O)[C@@H](N)Cc2ccc(OP(=O)(O)O)c(N)c2)CCCCC1)C(N)=O |
Homo sapiens |
CHEMBL686598 |
single protein format |
CHEMBL2372811 |
OBDepict
H
2
N
O
HN
H
O
NH
2
O
NH
O
H
2
N
H
NH
2
O
P
O
OH
HO
|
IC50 |
= |
23.0 |
nM |
500.45 |
NC(=O)C[C@H](NC(=O)C1(NC(=O)[C@@H](N)Cc2ccc(OP(=O)(O)O)c(N)c2)CCCC1)C(N)=O |
Homo sapiens |
CHEMBL686598 |
single protein format |
CHEMBL2372812 |
OBDepict
CH
3
CH
3
H
N
H
H
N
H
O
O
H
NH
2
H
O
NH
2
O
NH
2
NH
2
O
P
O
HO
OH
|
IC50 |
= |
65.0 |
nM |
502.47 |
CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(OP(=O)(O)O)c(N)c1)C(=O)N[C@@H](CC(N)=O)C(N)=O |
Homo sapiens |
CHEMBL686598 |
single protein format |
CHEMBL2372814 |
OBDepict
NH
2
O
N
H
H
O
NH
2
O
N
H
O
H
2
N
H
H
2
N
O
P
O
OH
OH
|
IC50 |
= |
124.0 |
nM |
472.4 |
NC(=O)C[C@H](NC(=O)C1(NC(=O)[C@@H](N)Cc2ccc(OP(=O)(O)O)c(N)c2)CC1)C(N)=O |
Homo sapiens |
CHEMBL686598 |
single protein format |
CHEMBL3144402 |
OBDepict
H
2
N
O
HN
H
O
NH
2
O
NH
O
H
2
N
H
NH
2
O
P
O
OH
HO
|
IC50 |
= |
140.0 |
nM |
548.49 |
NC(=O)C[C@H](NC(=O)C1(NC(=O)[C@@H](N)Cc2ccc(OP(=O)(O)O)c(N)c2)Cc2ccccc2C1)C(N)=O |
Homo sapiens |
CHEMBL686598 |
single protein format |
CHEMBL2372813 |
OBDepict
H
2
N
O
NH
H
O
NH
2
O
N
H
H
3
C
CH
3
O
H
2
N
H
NH
2
O
P
O
OH
HO
|
IC50 |
= |
206.0 |
nM |
474.41 |
CC(C)(NC(=O)[C@@H](N)Cc1ccc(OP(=O)(O)O)c(N)c1)C(=O)N[C@@H](CC(N)=O)C(N)=O |
Homo sapiens |
CHEMBL686598 |
single protein format |
CHEMBL3142740 |
OBDepict
H
3
C
NH
O
H
N
H
O
NH
O
O
P
H
O
HO
OH
O
NH
2
O
H
2
N
|
IC50 |
= |
210.0 |
nM |
527.47 |
CC(=O)N[C@H](C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(N)=O)CCCCC1)c1ccc(OP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL674102 |
cell-based format |
CHEMBL78242 |
OBDepict
H
3
C
NH
O
H
N
H
O
N
H
O
H
P
H
O
OH
HO
O
NH
2
|
IC50 |
= |
700.0 |
nM |
550.59 |
CC(=O)N[C@@H](Cc1ccc(CP(=O)(O)O)cc1)C(=O)NC1(C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)CCCCC1 |
Homo sapiens |
CHEMBL677219 |
cell-based format |