molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL564699 |
|
IC50 |
= |
380.0 |
nM |
409.57 |
CC1(C)SCC(CCCCC(=O)Nc2ccc3c(c2)C[C@@H](C(=O)O)OC3)S1 |
Homo sapiens |
CHEMBL1054000 |
single protein format |
CHEMBL556636 |
OBDepict
O
NH
O
S
S
H
CH
3
H
3
C
O
HO
|
IC50 |
= |
382.3 |
nM |
409.57 |
CC1(C)SCC(CCCCC(=O)Nc2ccc3c(c2)CO[C@H](C(=O)O)C3)S1 |
Homo sapiens |
CHEMBL1054000 |
single protein format |
CHEMBL549372 |
OBDepict
O
NH
S
S
O
CH
3
H
3
C
H
O
HO
|
IC50 |
= |
458.3 |
nM |
381.52 |
CC1(C)SCC(CCC(=O)Nc2ccc3c(c2)CO[C@H](C(=O)O)C3)S1 |
Homo sapiens |
CHEMBL1054000 |
single protein format |
CHEMBL556076 |
OBDepict
O
HN
S
S
H
3
C
CH
3
O
H
O
OH
|
IC50 |
= |
493.0 |
nM |
381.52 |
CC1(C)SCC(CCC(=O)Nc2ccc3c(c2)C[C@@H](C(=O)O)OC3)S1 |
Homo sapiens |
CHEMBL1054000 |
single protein format |
CHEMBL550662 |
OBDepict
O
N
H
S
O
H
O
OH
|
IC50 |
= |
624.7 |
nM |
345.42 |
O=C(CCCc1cccs1)Nc1ccc2c(c1)CO[C@H](C(=O)O)C2 |
Homo sapiens |
CHEMBL1054000 |
single protein format |
CHEMBL200117 |
OBDepict
CH
3
O
O
N
O
O
HO
|
IC50 |
= |
690.0 |
nM |
569.74 |
CCCCCCCCCCCCCCc1ccc(C(=O)c2ccc3c(-c4ccc(OCC(=O)O)cc4)nocc2-3)cc1 |
Homo sapiens |
CHEMBL865883 |
single protein format |
CHEMBL570779 |
OBDepict
O
N
H
S
O
H
O
HO
|
IC50 |
= |
765.3 |
nM |
345.42 |
O=C(CCCc1cccs1)Nc1ccc2c(c1)C[C@@H](C(=O)O)OC2 |
Homo sapiens |
CHEMBL1054000 |
single protein format |