molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4474533 |
|
IC50 |
= |
328.0 |
nM |
528.65 |
O=C(CC1CCN(C(=O)CCc2ccccc2)CC1)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O |
Homo sapiens |
CHEMBL4419934 |
single protein format |
CHEMBL4541982 |
OBDepict
CH
3
O
O
N
H
H
O
O
N
O
N
|
IC50 |
= |
528.0 |
nM |
567.69 |
COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 |
Homo sapiens |
CHEMBL4419934 |
single protein format |
CHEMBL4476836 |
OBDepict
H
3
C
O
O
N
H
H
O
O
N
O
|
IC50 |
= |
990.0 |
nM |
542.68 |
COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2ccccc2)CC1 |
Homo sapiens |
CHEMBL4419934 |
single protein format |
CHEMBL4547935 |
OBDepict
O
N
H
H
HN
O
N
O
O
|
IC50 |
= |
1000.0 |
nM |
581.76 |
O=C(CC1CCN(C(=O)CCc2ccccc2)CC1)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC1CC1 |
Homo sapiens |
CHEMBL4419934 |
single protein format |
CHEMBL4469116 |
OBDepict
O
NH
H
N
H
O
N
O
O
|
IC50 |
= |
1000.0 |
nM |
567.73 |
O=C(CC1CCN(C(=O)CCc2ccccc2)CC1)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC1CC1 |
Homo sapiens |
CHEMBL4419934 |
single protein format |
CHEMBL4558314 |
OBDepict
CH
3
O
N
O
N
H
O
H
O
O
CH
3
O
|
IC50 |
= |
1000.0 |
nM |
572.7 |
COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2ccccc2OC)CC1 |
Homo sapiens |
CHEMBL4419934 |
single protein format |
CHEMBL4546804 |
OBDepict
CH
3
O
O
N
H
H
O
O
N
O
F
|
IC50 |
= |
1000.0 |
nM |
560.67 |
COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2ccc(F)cc2)CC1 |
Homo sapiens |
CHEMBL4419934 |
single protein format |
CHEMBL4572362 |
OBDepict
CH
3
O
O
N
H
H
O
O
N
O
H
3
C
|
IC50 |
= |
1000.0 |
nM |
556.7 |
COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2cccc(C)c2)CC1 |
Homo sapiens |
CHEMBL4419934 |
single protein format |
CHEMBL4474075 |
OBDepict
CH
3
O
N
O
HN
O
H
O
O
H
3
C
O
|
IC50 |
= |
1000.0 |
nM |
586.73 |
CCOc1ccc(CCC(=O)N2CCC(CC(=O)N[C@@H](Cc3ccc(OCc4ccccc4)cc3)C(=O)OC)CC2)cc1 |
Homo sapiens |
CHEMBL4419934 |
single protein format |
CHEMBL4519785 |
OBDepict
H
HN
O
HO
O
O
N
O
O
CH
3
CH
3
H
3
C
|
IC50 |
= |
1000.0 |
nM |
496.6 |
CC(C)(C)OC(=O)N1CCC(CC(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)O)CC1 |
Homo sapiens |
CHEMBL4419934 |
single protein format |