molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL519741 |
|
Ki |
= |
0.25 |
nM |
413.51 |
CCCC(CCC)C(=O)OCC1(CO)C/C(=Cc2cn(C)c3ccccc23)C(=O)O1 |
Homo sapiens |
CHEMBL3294522 |
single protein format |
CHEMBL3289012 |
OBDepict
CH
3
O
O
H
3
C
O
HO
O
N
H
3
C
|
Ki |
= |
0.41 |
nM |
413.51 |
CCCC(CCC)C(=O)OCC1(CO)C/C(=Cc2ccc3c(ccn3C)c2)C(=O)O1 |
Homo sapiens |
CHEMBL3294522 |
single protein format |
CHEMBL3289014 |
OBDepict
H
3
C
O
O
H
3
C
O
HO
O
N
CH
3
|
Ki |
= |
0.69 |
nM |
413.51 |
CCCC(CCC)C(=O)OCC1(CO)C/C(=Cc2cccc3ccn(C)c23)C(=O)O1 |
Homo sapiens |
CHEMBL3294522 |
single protein format |
CHEMBL3289013 |
OBDepict
CH
3
O
O
H
3
C
O
HO
O
N
CH
3
|
Ki |
= |
0.87 |
nM |
413.51 |
CCCC(CCC)C(=O)OCC1(CO)C/C(=Cc2ccc3ccn(C)c3c2)C(=O)O1 |
Homo sapiens |
CHEMBL3294522 |
single protein format |
CHEMBL3289011 |
OBDepict
H
3
C
O
O
H
3
C
O
HO
O
N
H
3
C
|
Ki |
= |
1.55 |
nM |
413.51 |
CCCC(CCC)C(=O)OCC1(CO)C/C(=Cc2cccc3c2ccn3C)C(=O)O1 |
Homo sapiens |
CHEMBL3294522 |
single protein format |
CHEMBL4097154 |
OBDepict
OH
O
O
O
O
N
H
3
C
CH
3
|
Ki |
= |
22.6 |
nM |
505.57 |
Cc1ccc(C#Cc2ccc(C=C3CC(CO)(COC(=O)c4cn(C)c5ccccc45)OC3=O)cc2)cc1 |
Homo sapiens |
CHEMBL4020950 |
assay format |
CHEMBL4070999 |
OBDepict
OH
O
O
O
O
N
CH
3
CH
3
CH
3
H
3
C
CH
3
|
Ki |
= |
22.6 |
nM |
427.54 |
CC(C)C(C/C=C1/CC(CO)(COC(=O)c2cn(C)c3ccccc23)OC1=O)C(C)C |
Homo sapiens |
CHEMBL4020950 |
assay format |
CHEMBL4075373 |
OBDepict
OH
O
O
O
O
N
CH
3
CH
3
CH
3
H
3
C
CH
3
|
Ki |
= |
31.3 |
nM |
427.54 |
CC(C)C(C/C=C1CC(CO)(COC(=O)c2cn(C)c3ccccc23)OC1=O)C(C)C |
Homo sapiens |
CHEMBL4020950 |
assay format |
CHEMBL4069954 |
OBDepict
OH
O
O
O
O
N
H
3
C
CH
3
|
Ki |
= |
40.0 |
nM |
505.57 |
Cc1ccc(C#Cc2ccc(/C=C3CC(CO)(COC(=O)c4cn(C)c5ccccc45)OC3=O)cc2)cc1 |
Homo sapiens |
CHEMBL4020950 |
assay format |
CHEMBL4099579 |
OBDepict
CH
3
O
O
HO
O
O
N
H
3
C
|
Ki |
= |
63.3 |
nM |
441.57 |
CCCCCCCCC/C=C1CC(CO)(COC(=O)c2cn(C)c3ccccc23)OC1=O |
Homo sapiens |
CHEMBL4020950 |
assay format |
CHEMBL4081576 |
OBDepict
H
3
C
H
3
C
O
O
HO
O
O
N
CH
3
|
Ki |
= |
133.0 |
nM |
413.51 |
CCCC(/C=C1CC(CO)(COC(=O)c2cn(C)c3ccccc23)OC1=O)CCC |
Homo sapiens |
CHEMBL4020950 |
assay format |
CHEMBL4066764 |
OBDepict
OH
O
O
O
O
H
3
C
CH
3
N
CH
3
|
Ki |
= |
666.0 |
nM |
343.38 |
CC(C)=C1CC(CO)(COC(=O)c2cn(C)c3ccccc23)OC1=O |
Homo sapiens |
CHEMBL4020950 |
assay format |