molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3609741 |
|
IC50 |
= |
3.2 |
nM |
280.69 |
O=C(Nc1ccc(Cl)c(OCF)c1)c1ccccn1 |
Homo sapiens |
CHEMBL3610662 |
cell-based format |
CHEMBL3609742 |
OBDepict
O
N
H
N
O
Cl
F
D
D
|
IC50 |
= |
3.2 |
nM |
282.7 |
[2H]C([2H])(F)Oc1cc(NC(=O)c2ccccn2)ccc1Cl |
Homo sapiens |
CHEMBL3610662 |
cell-based format |
CHEMBL3609743 |
OBDepict
O
N
H
N
O
F
D
D
|
IC50 |
= |
3.7 |
nM |
248.25 |
[2H]C([2H])(F)Oc1cccc(NC(=O)c2ccccn2)c1 |
Homo sapiens |
CHEMBL3610662 |
cell-based format |
CHEMBL541754 |
OBDepict
F
O
F
HN
O
N
|
IC50 |
= |
4.6 |
nM |
264.23 |
O=C(Nc1cccc(OC(F)F)c1)c1ccccn1 |
Homo sapiens |
CHEMBL3610662 |
cell-based format |
CHEMBL1300476 |
OBDepict
CH
3
S
N
H
O
N
|
IC50 |
= |
4.9 |
nM |
244.32 |
CSc1cccc(NC(=O)c2ccccn2)c1 |
Homo sapiens |
CHEMBL3610662 |
cell-based format |
CHEMBL562551 |
OBDepict
CH
3
O
Cl
N
H
O
N
|
IC50 |
= |
5.1 |
nM |
262.7 |
COc1cc(NC(=O)c2ccccn2)ccc1Cl |
Homo sapiens |
CHEMBL3610662 |
cell-based format |
CHEMBL3609738 |
OBDepict
N
Cl
N
H
O
N
|
IC50 |
= |
5.3 |
nM |
257.68 |
N#Cc1cc(NC(=O)c2ccccn2)ccc1Cl |
Homo sapiens |
CHEMBL3610662 |
cell-based format |
CHEMBL3609734 |
OBDepict
F
O
F
HN
O
N
F
|
IC50 |
= |
6.7 |
nM |
282.22 |
O=C(Nc1cccc(OC(F)F)c1)c1cccc(F)n1 |
Homo sapiens |
CHEMBL3610662 |
cell-based format |
CHEMBL3608323 |
OBDepict
CH
3
O
Cl
N
H
O
N
F
|
IC50 |
= |
7.3 |
nM |
280.69 |
COc1cc(NC(=O)c2cccc(F)n2)ccc1Cl |
Homo sapiens |
CHEMBL3610662 |
cell-based format |
CHEMBL3609737 |
OBDepict
N
F
N
H
O
N
|
IC50 |
= |
7.4 |
nM |
241.22 |
N#Cc1cc(NC(=O)c2ccccn2)ccc1F |
Homo sapiens |
CHEMBL3610662 |
cell-based format |
CHEMBL3609736 |
OBDepict
N
N
H
O
N
|
IC50 |
= |
10.4 |
nM |
223.24 |
N#Cc1cccc(NC(=O)c2ccccn2)c1 |
Homo sapiens |
CHEMBL3610662 |
cell-based format |
CHEMBL3357575 |
OBDepict
Cl
N
N
H
O
O
O
N
CH
3
|
IC50 |
= |
11.0 |
nM |
391.81 |
Cc1cccc2c1C(=O)N(c1ccc(NC(=O)c3ccccn3)cc1Cl)C2=O |
Homo sapiens |
CHEMBL3385816 |
single protein format |
CHEMBL3357578 |
OBDepict
Br
N
N
H
O
O
O
N
CH
3
|
IC50 |
= |
12.0 |
nM |
436.27 |
Cc1cccc2c1C(=O)N(c1ccc(NC(=O)c3ccccn3)cc1Br)C2=O |
Homo sapiens |
CHEMBL3385816 |
single protein format |
CHEMBL3609733 |
OBDepict
CH
3
O
N
H
O
N
|
IC50 |
= |
13.7 |
nM |
228.25 |
COc1cccc(NC(=O)c2ccccn2)c1 |
Homo sapiens |
CHEMBL3610662 |
cell-based format |
CHEMBL551635 |
OBDepict
CH
3
O
F
N
H
O
N
|
IC50 |
= |
31.6 |
nM |
246.24 |
COc1cc(NC(=O)c2ccccn2)ccc1F |
Homo sapiens |
CHEMBL3610662 |
cell-based format |
CHEMBL3357574 |
OBDepict
Cl
N
N
H
O
O
O
N
F
|
IC50 |
= |
36.0 |
nM |
395.78 |
O=C(Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1)c1ccccn1 |
Homo sapiens |
CHEMBL3385816 |
single protein format |
CHEMBL3609739 |
OBDepict
N
Br
N
H
O
N
|
IC50 |
= |
47.0 |
nM |
302.13 |
N#Cc1cc(NC(=O)c2ccccn2)ccc1Br |
Homo sapiens |
CHEMBL3610662 |
cell-based format |
CHEMBL3609735 |
OBDepict
CH
3
O
F
N
H
O
N
F
|
IC50 |
= |
89.2 |
nM |
264.23 |
COc1cc(NC(=O)c2cccc(F)n2)ccc1F |
Homo sapiens |
CHEMBL3610662 |
cell-based format |
CHEMBL3609732 |
OBDepict
CH
3
O
I
N
H
O
N
|
IC50 |
= |
146.0 |
nM |
354.15 |
COc1cc(NC(=O)c2ccccn2)ccc1I |
Homo sapiens |
CHEMBL3610662 |
cell-based format |
CHEMBL3609740 |
OBDepict
N
I
N
H
O
N
|
IC50 |
= |
172.0 |
nM |
349.13 |
N#Cc1cc(NC(=O)c2ccccn2)ccc1I |
Homo sapiens |
CHEMBL3610662 |
cell-based format |
CHEMBL3609731 |
OBDepict
CH
3
O
Br
N
H
O
N
|
IC50 |
= |
322.0 |
nM |
307.15 |
COc1cc(NC(=O)c2ccccn2)ccc1Br |
Homo sapiens |
CHEMBL3610662 |
cell-based format |
CHEMBL33567 |
OBDepict
HO
O
NH
2
H
P
O
OH
HO
|
Ki |
= |
470.0 |
nM |
183.1 |
N[C@@H](CCP(=O)(O)O)C(=O)O |
Homo sapiens |
CHEMBL714668 |
single protein format |