molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3719130 |
|
Ki |
= |
96.0 |
nM |
434.45 |
CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(C(=O)O)cc3)c(OCC(F)(F)F)cc21 |
Homo sapiens |
CHEMBL3720927 |
single protein format |
CHEMBL3714906 |
OBDepict
H
3
C
O
O
H
3
C
CH
3
CH
3
H
3
C
O
OH
|
Ki |
= |
110.0 |
nM |
380.48 |
CCOc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL3720927 |
single protein format |
CHEMBL3715206 |
OBDepict
HO
O
H
N
H
H
H
O
CH
3
CH
3
|
Ki |
= |
135.0 |
nM |
337.42 |
Cc1cc2c(cc1C)[C@H]1OCCC[C@H]1[C@@H](c1ccc(C(=O)O)cc1)N2 |
Homo sapiens |
CHEMBL3720922 |
single protein format |
CHEMBL3716204 |
OBDepict
F
F
O
+
N
O
O
_
O
CH
3
H
3
C
H
3
C
CH
3
O
HO
|
Ki |
= |
163.0 |
nM |
461.46 |
CC1(C)CCC(C)(C)c2c1cc(C(=O)c1ccc(C(=O)O)cc1)c(OCC(F)F)c2[N+](=O)[O-] |
Homo sapiens |
CHEMBL3720927 |
single protein format |
CHEMBL3715006 |
OBDepict
O
CH
3
+
N
CH
3
H
3
C
O
_
O
H
3
C
CH
3
O
OH
|
Ki |
= |
165.0 |
nM |
395.46 |
Cc1c(C(=O)c2ccc(C(=O)O)cc2)cc2c(c1[N+](=O)[O-])C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL3720927 |
single protein format |
CHEMBL3717945 |
OBDepict
CH
3
O
N
H
3
C
H
3
C
HN
CH
3
CH
3
F
O
OH
F
|
Ki |
= |
215.0 |
nM |
506.59 |
CCOc1cc2c(cc1/C(=N/Nc1cc(F)ccc1F)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL3720927 |
single protein format |
CHEMBL3718791 |
OBDepict
HO
O
H
N
H
H
H
O
|
Ki |
= |
219.0 |
nM |
323.39 |
O=C(O)Cc1ccc([C@H]2Nc3ccccc3[C@H]3OCCC[C@@H]23)cc1 |
Homo sapiens |
CHEMBL3720922 |
single protein format |
CHEMBL3719031 |
OBDepict
H
3
C
O
O
H
N
H
H
H
O
|
Ki |
= |
234.0 |
nM |
323.39 |
COC(=O)c1ccc([C@H]2Nc3ccccc3[C@H]3OCCC[C@@H]23)cc1 |
Homo sapiens |
CHEMBL3720922 |
single protein format |
CHEMBL3715067 |
OBDepict
CH
3
O
N
CH
3
H
3
C
O
H
3
C
CH
3
O
HO
CH
3
H
3
C
|
Ki |
= |
244.0 |
nM |
465.63 |
CCOc1cc2c(cc1/C(=N/OCCC(C)C)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL3720927 |
single protein format |
CHEMBL3716364 |
OBDepict
CH
3
O
N
O
CH
3
CH
3
H
3
C
H
3
C
H
3
C
O
OH
|
Ki |
= |
322.0 |
nM |
479.66 |
CCCCCCO/N=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1OCC)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL3720927 |
single protein format |
CHEMBL3718230 |
OBDepict
H
3
C
O
O
H
3
C
H
3
C
CH
3
CH
3
CH
3
O
HO
|
Ki |
= |
339.0 |
nM |
438.61 |
CCCCOC(c1ccc(C(=O)O)cc1)c1cc2c(cc1OCC)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL3720927 |
single protein format |
CHEMBL3718049 |
OBDepict
CH
3
O
O
CH
3
H
3
C
H
3
C
CH
3
O
O
HO
|
Ki |
= |
364.0 |
nM |
408.49 |
CCOc1cc2c(cc1C(=O)c1ccc(C(=O)C(=O)O)cc1)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL3720927 |
single protein format |
CHEMBL3718438 |
OBDepict
OH
O
N
N
H
H
3
C
H
3
C
CH
3
CH
3
|
Ki |
= |
514.0 |
nM |
426.56 |
CC1(C)CCC(C)(C)c2cc(/C(=NNc3ccccc3)c3ccc(C(=O)O)cc3)ccc21 |
Homo sapiens |
CHEMBL3720927 |
single protein format |
CHEMBL3717489 |
OBDepict
H
3
C
O
H
3
C
H
3
C
CH
3
CH
3
F
O
OH
|
Ki |
= |
580.0 |
nM |
460.59 |
Cc1cc2c(cc1C(OCc1ccccc1F)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL3720927 |
single protein format |
CHEMBL3714833 |
OBDepict
CH
3
O
OH
H
3
C
CH
3
CH
3
H
3
C
O
OH
|
Ki |
= |
710.0 |
nM |
366.46 |
Cc1cc2c(c(O)c1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL3720927 |
single protein format |
CHEMBL3716703 |
OBDepict
H
3
C
O
O
O
CH
3
H
3
C
O
OH
|
Ki |
= |
721.0 |
nM |
354.4 |
CCOc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCO2 |
Homo sapiens |
CHEMBL3720927 |
single protein format |
CHEMBL3715185 |
OBDepict
CH
3
O
N
H
3
C
H
3
C
O
CH
3
CH
3
O
OH
F
F
|
Ki |
= |
966.0 |
nM |
521.6 |
CCOc1cc2c(cc1/C(=N/OCc1cccc(F)c1F)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL3720927 |
single protein format |