molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL388978 |
|
IC50 |
= |
0.0024 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4620149 |
single protein format |
CHEMBL4637017 |
OBDepict
H
3
C
H
3
C
H
N
NH
NH
HN
H
S
O
O
Cl
OH
|
IC50 |
= |
210.0 |
nM |
465.02 |
CC(C)C[C@H]1CNC(=N)N1C[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1Cl |
Homo sapiens |
CHEMBL4620149 |
single protein format |
CHEMBL4647760 |
OBDepict
OH
HN
H
S
N
O
O
Cl
HN
NH
H
|
IC50 |
= |
226.0 |
nM |
505.08 |
N=C1NC[C@H](CC2CCCCC2)N1C[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1Cl |
Homo sapiens |
CHEMBL4620149 |
single protein format |
CHEMBL4635320 |
OBDepict
CH
3
H
3
C
H
N
HN
NH
HN
H
S
O
O
H
3
C
OH
|
IC50 |
= |
308.0 |
nM |
444.6 |
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)CN2C(=N)NC[C@@H]2CC(C)C)cc1 |
Homo sapiens |
CHEMBL4620149 |
single protein format |
CHEMBL4649625 |
OBDepict
OH
NH
H
S
N
O
O
CH
3
NH
N
H
H
|
IC50 |
= |
318.0 |
nM |
484.67 |
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)CN2C(=N)NC[C@@H]2CC2CCCCC2)cc1 |
Homo sapiens |
CHEMBL4620149 |
single protein format |
CHEMBL4638119 |
OBDepict
H
3
C
H
3
C
H
N
NH
NH
HN
H
S
O
O
|
IC50 |
= |
654.0 |
nM |
414.58 |
CC(C)C[C@H]1CNC(=N)N1C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 |
Homo sapiens |
CHEMBL4620149 |
single protein format |