molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4297468 |
|
IC50 |
= |
0.131 |
nM |
586.69 |
COc1ccc([C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC2=CCCC2)C(=O)[C@@]2(C)CO2)cc1 |
Homo sapiens |
CHEMBL4403374 |
single protein format |
CHEMBL270515 |
OBDepict
OH
B
HO
NH
H
O
H
3
C
H
3
C
NH
H
HO
CH
3
H
O
N
|
IC50 |
= |
10.0 |
nM |
413.28 |
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)B(O)O |
Homo sapiens |
CHEMBL4403374 |
single protein format |
CHEMBL4128074 |
OBDepict
H
3
C
CH
3
N
H
H
N
H
O
O
H
N
H
H
S
O
O
F
O
CH
3
H
3
C
NH
NH
2
H
NH
H
2
N
|
IC50 |
= |
210.0 |
nM |
599.77 |
CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)CS(=O)(=O)F |
Homo sapiens |
CHEMBL4123724 |
single protein format |
CHEMBL4127967 |
OBDepict
H
2
N
N
H
H
S
O
O
F
O
N
H
H
O
H
3
C
CH
3
N
H
H
O
CH
3
H
3
C
H
2
N
H
|
IC50 |
= |
300.0 |
nM |
571.76 |
CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)CS(=O)(=O)F |
Homo sapiens |
CHEMBL4123724 |
single protein format |
CHEMBL4749207 |
OBDepict
CH
3
CH
3
B
HN
H
HO
HO
O
N
H
H
O
OH
|
IC50 |
= |
300.0 |
nM |
412.3 |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)B(O)O |
Homo sapiens |
CHEMBL4682119 |
single protein format |
CHEMBL3319481 |
OBDepict
CH
3
O
N
H
H
HN
O
O
H
N
H
CH
3
H
O
H
3
C
O
O
N
O
|
IC50 |
= |
410.0 |
nM |
586.73 |
COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC2CCCCC2)C(=O)[C@@]2(C)CO2)cc1 |
Homo sapiens |
CHEMBL3371276 |
cell-based format |
CHEMBL3237875 |
OBDepict
CH
3
O
N
H
H
HN
O
O
H
N
H
CH
3
H
O
H
3
C
O
O
N
O
|
IC50 |
= |
590.0 |
nM |
580.68 |
COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |
Homo sapiens |
CHEMBL3371276 |
cell-based format |
CHEMBL325041 |
OBDepict
H
3
C
CH
3
B
NH
H
OH
OH
O
N
H
H
O
N
N
|
IC50 |
= |
940.0 |
nM |
384.25 |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |
Homo sapiens |
CHEMBL4403374 |
single protein format |