molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4090599 |
|
Ki |
= |
24.5 |
nM |
498.43 |
COC[C@H]1CN(Cc2ccccn2)C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c1cc(Cl)cc(Cl)c1 |
Homo sapiens |
CHEMBL4048818 |
single protein format |
CHEMBL3793603 |
OBDepict
H
3
C
O
O
O
CH
3
H
3
C
H
N
O
H
N
H
O
O
NH
2
|
Ki |
= |
140.0 |
nM |
529.68 |
COc1cc([C@@H](C(=O)N2CCCC[C@H]2C(=O)NC2(C(N)=O)CCCC2)C2CCCCC2)cc(OC)c1OC |
Homo sapiens |
CHEMBL3795199 |
single protein format |
CHEMBL2348594 |
OBDepict
H
3
C
O
O
H
3
C
O
N
O
N
S
O
O
S
N
H
O
|
Ki |
= |
300.0 |
nM |
547.66 |
COc1ccc(OCCN2CCC3CCCC(C2=O)N3S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)cc1OC |
Homo sapiens |
CHEMBL2351899 |
single protein format |
CHEMBL3794209 |
OBDepict
H
3
C
O
O
O
H
3
C
H
3
C
H
N
O
H
N
H
O
HN
O
O
NH
2
|
Ki |
= |
800.0 |
nM |
586.73 |
COc1cc([C@@H](C(=O)N2CCCC[C@H]2C(=O)NC2(C(=O)NCC(N)=O)CCCC2)C2CCCCC2)cc(OC)c1OC |
Homo sapiens |
CHEMBL3795199 |
single protein format |
CHEMBL2348599 |
OBDepict
CH
3
O
O
O
H
3
C
N
O
N
S
O
O
Cl
Cl
OH
|
Ki |
= |
1000.0 |
nM |
559.47 |
COc1ccc(OCCN2CCC3CCCC(C2=O)N3S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)cc1OC |
Homo sapiens |
CHEMBL2351899 |
single protein format |