molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL277498 |
|
IC50 |
= |
10.1 |
nM |
129.16 |
O=C(O)C1CCCNC1 |
Homo sapiens |
CHEMBL881972 |
single protein format |
CHEMBL1695 |
OBDepict
OH
O
H
N
S
S
CH
3
H
3
C
ClH
|
IC50 |
= |
49.0 |
nM |
412.02 |
Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1sccc1C.Cl |
Homo sapiens |
CHEMBL2417030 |
cell-based format |
CHEMBL1027 |
OBDepict
HO
O
H
N
S
S
H
3
C
CH
3
|
IC50 |
= |
70.0 |
nM |
375.56 |
Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1sccc1C |
Homo sapiens |
CHEMBL806333 |
single protein format |
CHEMBL77626 |
OBDepict
OH
O
H
N
|
IC50 |
= |
130.0 |
nM |
335.45 |
O=C(O)[C@@H]1CCCN(CCC=C(c2ccccc2)c2ccccc2)C1 |
Homo sapiens |
CHEMBL806333 |
single protein format |
CHEMBL103623 |
OBDepict
HO
O
N
|
IC50 |
= |
200.0 |
nM |
333.43 |
O=C(O)C1=CCCN(CCC=C(c2ccccc2)c2ccccc2)C1 |
Homo sapiens |
CHEMBL1166723 |
single protein format |
CHEMBL38686 |
OBDepict
HO
O
N
|
IC50 |
= |
200.0 |
nM |
335.45 |
O=C(O)C1CCCN(CCC=C(c2ccccc2)c2ccccc2)C1 |
Homo sapiens |
CHEMBL1166723 |
single protein format |
CHEMBL77287 |
OBDepict
OH
O
N
O
F
F
F
F
F
F
|
IC50 |
= |
260.0 |
nM |
473.41 |
O=C(O)C1=CCCN(CCOC(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)C1 |
Homo sapiens |
CHEMBL806333 |
single protein format |
CHEMBL556819 |
OBDepict
OH
O
H
N
S
S
O
O
ClH
|
IC50 |
= |
340.0 |
nM |
596.21 |
Cl.O=C(O)[C@@H]1CCCN(CCC=C(c2sccc2COc2ccccc2)c2sccc2COc2ccccc2)C1 |
Homo sapiens |
CHEMBL862288 |
single protein format |
CHEMBL559211 |
OBDepict
HO
O
N
S
S
O
O
ClH
|
IC50 |
= |
650.0 |
nM |
596.21 |
Cl.O=C(O)C1CCCCN1CCC=C(c1sccc1COc1ccccc1)c1sccc1COc1ccccc1 |
Homo sapiens |
CHEMBL862288 |
single protein format |