molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL29838 |
|
IC50 |
= |
4.0 |
nM |
464.58 |
O=C(COc1ccc(SCCCCCc2ccccc2)cc1)COc1ccc(C(=O)O)cc1 |
Homo sapiens |
CHEMBL767151 |
single protein format |
CHEMBL30108 |
OBDepict
CH
3
O
O
O
O
O
HO
|
IC50 |
= |
8.0 |
nM |
442.55 |
CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(C(=O)O)cc2)cc1 |
Homo sapiens |
CHEMBL767151 |
single protein format |
CHEMBL26200 |
OBDepict
CH
3
O
O
O
O
O
OH
|
IC50 |
= |
17.0 |
nM |
456.58 |
CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(CC(=O)O)cc2)cc1 |
Homo sapiens |
CHEMBL767151 |
single protein format |
CHEMBL286067 |
OBDepict
CH
3
O
O
O
O
+
N
O
_
O
O
HO
|
IC50 |
= |
20.0 |
nM |
487.55 |
CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1 |
Homo sapiens |
CHEMBL767151 |
single protein format |
CHEMBL418207 |
OBDepict
CH
3
O
O
O
O
O
HO
|
IC50 |
= |
26.0 |
nM |
470.61 |
CCCCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(C(=O)O)cc2)cc1 |
Homo sapiens |
CHEMBL767152 |
single protein format |
CHEMBL29515 |
OBDepict
CH
3
O
O
O
O
O
HO
|
IC50 |
= |
30.0 |
nM |
422.56 |
CCCCCCCCCCOc1ccc(OCC(=O)COCCCCC(=O)O)cc1 |
Homo sapiens |
CHEMBL767151 |
single protein format |
CHEMBL286068 |
OBDepict
CH
3
O
O
O
O
O
HO
|
IC50 |
= |
35.0 |
nM |
456.58 |
CCCCCCCCCCOc1ccc(OCC(=O)COCc2cccc(C(=O)O)c2)cc1 |
Homo sapiens |
CHEMBL767151 |
single protein format |
CHEMBL29353 |
OBDepict
CH
3
O
O
O
O
O
OH
|
IC50 |
= |
40.0 |
nM |
456.58 |
CCCCCCCCCCOc1ccc(OCC(=O)COCc2ccc(C(=O)O)cc2)cc1 |
Homo sapiens |
CHEMBL767151 |
single protein format |
CHEMBL282164 |
OBDepict
CH
3
O
O
O
O
O
OH
|
IC50 |
= |
46.0 |
nM |
414.5 |
CCCCCCCCOc1ccc(OCC(=O)COc2ccc(C(=O)O)cc2)cc1 |
Homo sapiens |
CHEMBL767151 |
single protein format |
CHEMBL30130 |
OBDepict
O
O
O
O
O
HO
|
IC50 |
= |
48.0 |
nM |
448.52 |
O=C(COc1ccc(OCCCCCc2ccccc2)cc1)COc1ccc(C(=O)O)cc1 |
Homo sapiens |
CHEMBL767151 |
single protein format |
CHEMBL30107 |
OBDepict
CH
3
O
O
O
O
O
HO
|
IC50 |
= |
50.0 |
nM |
442.55 |
CCCCCCCCCCOc1ccc(OCC(=O)COc2cccc(C(=O)O)c2)cc1 |
Homo sapiens |
CHEMBL767151 |
single protein format |
CHEMBL29247 |
OBDepict
CH
3
O
O
O
O
O
HO
|
IC50 |
= |
60.0 |
nM |
456.58 |
CCCCCCCCCCOc1ccc(OCC(=O)COc2cccc(CC(=O)O)c2)cc1 |
Homo sapiens |
CHEMBL767151 |
single protein format |
CHEMBL29246 |
OBDepict
CH
3
O
O
O
O
O
O
OH
|
IC50 |
= |
60.0 |
nM |
472.58 |
CCCCCCCCCCOc1ccc(OCC(=O)COc2cccc(OCC(=O)O)c2)cc1 |
Homo sapiens |
CHEMBL767151 |
single protein format |
CHEMBL285344 |
OBDepict
CH
3
O
O
O
S
O
HO
|
IC50 |
= |
70.0 |
nM |
438.63 |
CCCCCCCCCCOc1ccc(OCC(=O)CSCCCCC(=O)O)cc1 |
Homo sapiens |
CHEMBL767151 |
single protein format |
CHEMBL25900 |
OBDepict
CH
3
O
O
O
O
O
CH
3
O
HO
|
IC50 |
= |
74.0 |
nM |
472.58 |
CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(C(=O)O)cc2OC)cc1 |
Homo sapiens |
CHEMBL767151 |
single protein format |
CHEMBL27479 |
OBDepict
CH
3
O
O
O
S
O
OH
|
IC50 |
= |
150.0 |
nM |
424.6 |
CCCCCCCCCCOc1ccc(OCC(=O)CSCCCC(=O)O)cc1 |
Homo sapiens |
CHEMBL767151 |
single protein format |
CHEMBL27245 |
OBDepict
CH
3
O
O
O
O
O
OH
|
IC50 |
= |
240.0 |
nM |
408.54 |
CCCCCCCCCCOc1ccc(OCC(=O)COCCCC(=O)O)cc1 |
Homo sapiens |
CHEMBL767151 |
single protein format |
CHEMBL25853 |
OBDepict
CH
3
O
O
O
S
O
HO
|
IC50 |
= |
270.0 |
nM |
410.58 |
CCCCCCCCCCOc1ccc(OCC(=O)CSCCC(=O)O)cc1 |
Homo sapiens |
CHEMBL767151 |
single protein format |
CHEMBL413539 |
OBDepict
CH
3
O
O
O
O
O
HO
|
IC50 |
= |
280.0 |
nM |
386.44 |
CCCCCCOc1ccc(OCC(=O)COc2ccc(C(=O)O)cc2)cc1 |
Homo sapiens |
CHEMBL767151 |
single protein format |
CHEMBL283294 |
OBDepict
CH
3
O
O
O
S
O
HO
|
IC50 |
= |
400.0 |
nM |
466.68 |
CCCCCCCCCCCCCCOc1ccc(OCC(=O)CSCCC(=O)O)cc1 |
Homo sapiens |
CHEMBL767151 |
single protein format |
CHEMBL29807 |
OBDepict
H
3
C
O
O
O
S
O
O
O
HO
|
IC50 |
= |
500.0 |
nM |
442.57 |
CCCCCCCCCCOc1ccc(OCC(=O)CS(=O)(=O)CCC(=O)O)cc1 |
Homo sapiens |
CHEMBL767151 |
single protein format |
CHEMBL281320 |
OBDepict
CH
3
O
O
O
O
O
OH
|
IC50 |
= |
660.0 |
nM |
470.61 |
CCCCCCCCCCOc1ccc(COCC(=O)COc2cccc(CC(=O)O)c2)cc1 |
Homo sapiens |
CHEMBL767151 |
single protein format |
CHEMBL27531 |
OBDepict
CH
3
O
O
O
O
HO
|
IC50 |
= |
690.0 |
nM |
440.58 |
CCCCCCCCCCOc1ccc(CCC(=O)COc2cccc(C(=O)O)c2)cc1 |
Homo sapiens |
CHEMBL767151 |
single protein format |
CHEMBL282634 |
OBDepict
H
3
C
O
O
O
S
O
HO
|
IC50 |
= |
700.0 |
nM |
410.58 |
CCCCCCCCCCOc1cccc(OCC(=O)CSCCC(=O)O)c1 |
Homo sapiens |
CHEMBL767151 |
single protein format |
CHEMBL281211 |
OBDepict
CH
3
O
F
F
F
|
IC50 |
= |
800.0 |
nM |
356.47 |
CCCCC/C=CC/C=CC/C=CC/C=CCCCC(=O)C(F)(F)F |
Homo sapiens |
CHEMBL767152 |
single protein format |
CHEMBL27534 |
OBDepict
CH
3
O
O
O
+
S
_
O
O
HO
|
IC50 |
= |
1000.0 |
nM |
426.58 |
CCCCCCCCCCOc1ccc(OCC(=O)C[S+]([O-])CCC(=O)O)cc1 |
Homo sapiens |
CHEMBL767151 |
single protein format |