molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3355003 |
|
Ki |
= |
0.17 |
nM |
391.44 |
CC(C)n1nc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)cc1C1CCN(C)CC1 |
Homo sapiens |
CHEMBL3377246 |
single protein format |
CHEMBL3355005 |
OBDepict
H
N
N
F
F
F
N
N
H
3
C
CH
3
H
H
H
N
O
|
Ki |
= |
0.4 |
nM |
431.46 |
CC(C)n1nc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21 |
Homo sapiens |
CHEMBL3377246 |
single protein format |
CHEMBL4207983 |
OBDepict
CH
3
N
N
O
N
H
N
H
3
C
CH
3
O
N
N
|
IC50 |
= |
1.0 |
nM |
464.53 |
CC(C)n1c2ccc(Oc3ncccn3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 |
Homo sapiens |
CHEMBL4199318 |
single protein format |
CHEMBL535 |
OBDepict
H
3
C
N
CH
3
HN
O
H
3
C
CH
3
N
H
O
N
H
F
|
Ki |
= |
6.3 |
nM |
398.48 |
CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c1C |
Homo sapiens |
CHEMBL4199319 |
single protein format |
CHEMBL572878 |
OBDepict
CH
3
N
N
N
S
N
HN
N
N
CH
3
H
N
H
O
|
Ki |
= |
35.8 |
nM |
464.6 |
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1 |
Homo sapiens |
CHEMBL4199319 |
single protein format |
CHEMBL3355004 |
OBDepict
F
N
H
N
N
N
H
3
C
CH
3
N
O
|
Ki |
= |
110.0 |
nM |
369.44 |
CC(C)n1nc(-c2cnc3[nH]cc(F)c3c2)cc1C1CCN(C2COC2)C1 |
Homo sapiens |
CHEMBL3377246 |
single protein format |
CHEMBL4218417 |
OBDepict
OH
N
N
H
O
N
H
O
H
3
C
CH
3
|
IC50 |
= |
119.0 |
nM |
427.5 |
CC(C)OCc1ccc2c(c1)c1c3c(c4c5ccccc5[nH]c4c1n2CCO)CNC3=O |
Homo sapiens |
CHEMBL4199318 |
single protein format |
CHEMBL2436978 |
OBDepict
CH
3
N
N
N
N
H
N
H
|
IC50 |
= |
150.0 |
nM |
421.55 |
CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CC1 |
Homo sapiens |
CHEMBL2439773 |
single protein format |
CHEMBL3355006 |
OBDepict
H
3
C
N
CH
3
N
H
H
H
N
N
N
H
N
H
2
N
O
|
Ki |
= |
270.0 |
nM |
379.47 |
CC(C)n1nc(-c2cnc(N)c3cn[nH]c23)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21 |
Homo sapiens |
CHEMBL3377246 |
single protein format |