molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL2203556 |
|
IC50 |
= |
8.0 |
nM |
335.37 |
COc1cnc(Nc2ccccc2)nc1-c1cc2c([nH]1)CCNC2=O |
Homo sapiens |
CHEMBL2211471 |
single protein format |
CHEMBL2203554 |
OBDepict
CH
3
O
N
N
N
H
O
N
H
F
|
IC50 |
= |
17.0 |
nM |
366.4 |
COc1cnc(CCc2ccc(F)cc2)nc1-c1cc2c([nH]1)CCNC2=O |
Homo sapiens |
CHEMBL2211471 |
single protein format |
CHEMBL2203559 |
OBDepict
CH
3
O
N
N
N
H
O
O
N
H
F
|
IC50 |
= |
24.0 |
nM |
368.37 |
COc1cnc(COc2ccc(F)cc2)nc1-c1cc2c([nH]1)CCNC2=O |
Homo sapiens |
CHEMBL2211471 |
single protein format |
CHEMBL2203555 |
OBDepict
CH
3
O
N
N
N
NH
H
O
N
H
|
IC50 |
= |
33.0 |
nM |
349.39 |
COc1cnc(NCc2ccccc2)nc1-c1cc2c([nH]1)CCNC2=O |
Homo sapiens |
CHEMBL2211471 |
single protein format |
CHEMBL2203565 |
OBDepict
CH
3
O
N
N
H
O
O
N
H
CH
3
F
F
|
IC50 |
= |
44.0 |
nM |
399.4 |
COc1cnc(COc2cc(F)c(F)cc2C)cc1-c1cc2c([nH]1)CCNC2=O |
Homo sapiens |
CHEMBL2211457 |
single protein format |
CHEMBL2203553 |
OBDepict
CH
3
O
N
N
N
H
O
N
H
F
|
IC50 |
= |
50.0 |
nM |
364.38 |
COc1cnc(/C=C/c2ccc(F)cc2)nc1-c1cc2c([nH]1)CCNC2=O |
Homo sapiens |
CHEMBL2211471 |
single protein format |
CHEMBL2203557 |
OBDepict
CH
3
O
N
N
N
O
H
O
N
H
F
|
IC50 |
= |
80.0 |
nM |
368.37 |
COc1cnc(OCc2ccc(F)cc2)nc1-c1cc2c([nH]1)CCNC2=O |
Homo sapiens |
CHEMBL2211471 |
single protein format |
CHEMBL2203563 |
OBDepict
CH
3
O
N
N
H
O
O
HN
F
F
|
IC50 |
= |
254.0 |
nM |
385.37 |
COc1cnc(COc2ccc(F)c(F)c2)cc1-c1cc2c([nH]1)CCNC2=O |
Homo sapiens |
CHEMBL2211457 |
single protein format |
CHEMBL2203552 |
OBDepict
CH
3
O
N
N
N
H
N
O
N
H
|
IC50 |
= |
348.0 |
nM |
371.4 |
COc1cnc(-c2cnc3ccccc3c2)nc1-c1cc2c([nH]1)CCNC2=O |
Homo sapiens |
CHEMBL2211467 |
cell-based format |
CHEMBL2203562 |
OBDepict
CH
3
O
N
N
H
O
O
N
H
F
F
|
IC50 |
= |
394.0 |
nM |
385.37 |
COc1cnc(COc2ccc(F)cc2F)cc1-c1cc2c([nH]1)CCNC2=O |
Homo sapiens |
CHEMBL2211457 |
single protein format |
CHEMBL2203564 |
OBDepict
CH
3
O
N
N
H
O
O
N
H
CH
3
F
|
IC50 |
= |
537.0 |
nM |
381.41 |
COc1cnc(COc2ccc(F)cc2C)cc1-c1cc2c([nH]1)CCNC2=O |
Homo sapiens |
CHEMBL2211457 |
single protein format |
CHEMBL2203561 |
OBDepict
CH
3
O
N
N
H
O
O
N
H
F
|
IC50 |
= |
584.0 |
nM |
367.38 |
COc1cnc(COc2ccc(F)cc2)cc1-c1cc2c([nH]1)CCNC2=O |
Homo sapiens |
CHEMBL2211457 |
single protein format |
CHEMBL2071614 |
OBDepict
N
N
N
H
N
H
OH
H
3
C
H
3
C
|
IC50 |
= |
700.0 |
nM |
292.34 |
CC(C)(O)c1ccc(Nc2nc3ccc(C#N)cc3[nH]2)cc1 |
Homo sapiens |
CHEMBL2072010 |
cell-based format |
CHEMBL2203560 |
OBDepict
CH
3
O
N
N
H
O
N
H
F
|
IC50 |
= |
840.0 |
nM |
365.41 |
COc1cnc(CCc2ccc(F)cc2)cc1-c1cc2c([nH]1)CCNC2=O |
Homo sapiens |
CHEMBL2211467 |
cell-based format |
CHEMBL2203558 |
OBDepict
CH
3
O
N
N
N
O
H
O
N
H
|
IC50 |
= |
853.0 |
nM |
336.35 |
COc1cnc(Oc2ccccc2)nc1-c1cc2c([nH]1)CCNC2=O |
Homo sapiens |
CHEMBL2211471 |
single protein format |