molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL408947 |
|
IC50 |
= |
110.0 |
nM |
422.48 |
CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc(CC)cc3)ccc12 |
Homo sapiens |
CHEMBL924745 |
single protein format |
CHEMBL265938 |
OBDepict
CH
3
O
O
O
H
3
C
N
O
HN
O
O
CH
3
|
IC50 |
= |
190.0 |
nM |
438.48 |
CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc(OCC)cc3)ccc12 |
Homo sapiens |
CHEMBL924745 |
single protein format |
CHEMBL410467 |
OBDepict
CH
3
O
O
O
H
3
C
N
O
HN
O
O
F
F
F
|
IC50 |
= |
200.0 |
nM |
478.42 |
CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc(OC(F)(F)F)cc3)ccc12 |
Homo sapiens |
CHEMBL924745 |
single protein format |
CHEMBL262079 |
OBDepict
CH
3
O
O
O
H
3
C
N
O
HN
O
O
CH
3
|
IC50 |
= |
200.0 |
nM |
424.45 |
CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc(OC)cc3)ccc12 |
Homo sapiens |
CHEMBL924745 |
single protein format |
CHEMBL408702 |
OBDepict
CH
3
O
O
O
CH
3
N
O
N
H
O
O
O
|
IC50 |
= |
260.0 |
nM |
452.46 |
CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)NCc3ccc4c(c3)OCO4)ccc12 |
Homo sapiens |
CHEMBL924745 |
single protein format |
CHEMBL412079 |
OBDepict
CH
3
O
O
O
H
3
C
N
O
HN
O
CH
3
|
IC50 |
= |
340.0 |
nM |
408.45 |
CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc(C)cc3)ccc12 |
Homo sapiens |
CHEMBL924745 |
single protein format |
CHEMBL411889 |
OBDepict
CH
3
N
H
O
N
O
O
CH
3
O
O
H
3
C
|
IC50 |
= |
360.0 |
nM |
450.54 |
CCCCc1ccc(NC(=O)Cn2ccc3c(OC(C)C(=O)OCC)cccc3c2=O)cc1 |
Homo sapiens |
CHEMBL924745 |
single protein format |
CHEMBL412080 |
OBDepict
CH
3
O
O
O
H
3
C
N
O
HN
O
|
IC50 |
= |
360.0 |
nM |
422.48 |
CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)NCCc3ccccc3)ccc12 |
Homo sapiens |
CHEMBL924745 |
single protein format |
CHEMBL260592 |
OBDepict
CH
3
O
O
O
CH
3
N
O
NH
O
+
N
O
_
O
|
IC50 |
= |
530.0 |
nM |
439.42 |
CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc([N+](=O)[O-])cc3)ccc12 |
Homo sapiens |
CHEMBL924745 |
single protein format |
CHEMBL260420 |
OBDepict
CH
3
O
O
O
H
3
C
H
3
C
N
O
HN
O
O
O
|
IC50 |
= |
590.0 |
nM |
466.49 |
CCOC(=O)C(C)(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)ccc12 |
Homo sapiens |
CHEMBL924745 |
single protein format |
CHEMBL261115 |
OBDepict
CH
3
O
O
O
H
3
C
N
O
HN
O
F
|
IC50 |
= |
680.0 |
nM |
426.44 |
CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)NCc3ccc(F)cc3)ccc12 |
Homo sapiens |
CHEMBL924745 |
single protein format |
CHEMBL259067 |
OBDepict
CH
3
O
O
O
H
3
C
N
O
HN
O
O
O
|
IC50 |
= |
760.0 |
nM |
452.46 |
CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)ccc12 |
Homo sapiens |
CHEMBL924745 |
single protein format |