molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL1270493 |
|
IC50 |
= |
17.0 |
nM |
529.65 |
Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CCN(CC(F)(F)F)CC3)C[C@@H]2C1 |
Homo sapiens |
CHEMBL1272914 |
single protein format |
CHEMBL1270595 |
OBDepict
H
N
N
H
O
H
3
C
N
CH
3
N
N
S
O
O
|
IC50 |
= |
22.0 |
nM |
551.76 |
Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CN(S(=O)(=O)C4CCCC4)C3)C[C@@H]2C1 |
Homo sapiens |
CHEMBL1272914 |
single protein format |
CHEMBL1269384 |
OBDepict
O
N
CH
3
N
CH
3
N
H
H
N
N
S
O
O
|
IC50 |
= |
23.0 |
nM |
579.81 |
Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CCN(S(=O)(=O)C4CCCC4)CC3)C[C@@H]2C1 |
Homo sapiens |
CHEMBL1272914 |
single protein format |
CHEMBL1270101 |
OBDepict
H
3
C
S
H
3
C
N
O
O
N
H
H
N
O
CH
3
N
CH
3
N
|
IC50 |
= |
23.0 |
nM |
525.72 |
Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CN(S(=O)(=O)C(C)C)C3)C[C@@H]2C1 |
Homo sapiens |
CHEMBL1272914 |
single protein format |
CHEMBL1270798 |
OBDepict
F
F
N
N
F
F
H
H
N
O
CH
3
N
H
3
C
N
|
IC50 |
= |
25.0 |
nM |
547.64 |
Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3cc(F)cc(F)c3)C3CCN(CC(F)F)CC3)C[C@@H]2C1 |
Homo sapiens |
CHEMBL1272914 |
single protein format |
CHEMBL1270799 |
OBDepict
H
3
C
S
N
O
O
N
H
H
N
O
CH
3
N
CH
3
N
|
IC50 |
= |
25.0 |
nM |
539.75 |
CCS(=O)(=O)N1CCC(C(CCN2C[C@H]3CN(C(=O)c4c(C)ncnc4C)C[C@H]3C2)c2ccccc2)CC1 |
Homo sapiens |
CHEMBL1272914 |
single protein format |
CHEMBL1270594 |
OBDepict
F
F
N
N
H
H
N
O
CH
3
N
CH
3
N
|
IC50 |
= |
27.0 |
nM |
511.66 |
Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CCN(CC(F)F)CC3)C[C@@H]2C1 |
Homo sapiens |
CHEMBL1272914 |
single protein format |
CHEMBL1270694 |
OBDepict
H
N
N
H
O
CH
3
N
CH
3
N
N
S
O
O
|
IC50 |
= |
27.0 |
nM |
551.76 |
Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CCN(S(=O)(=O)C4CC4)CC3)C[C@@H]2C1 |
Homo sapiens |
CHEMBL1272914 |
single protein format |
CHEMBL1271108 |
OBDepict
O
O
CH
3
CH
3
N
O
H
H
N
N
S
O
O
CH
3
|
IC50 |
= |
27.0 |
nM |
541.71 |
Cc1cc(=O)oc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 |
Homo sapiens |
CHEMBL1272914 |
single protein format |
CHEMBL1271208 |
OBDepict
N
N
CH
3
CH
3
N
O
H
H
N
N
S
O
O
H
3
C
|
IC50 |
= |
31.0 |
nM |
549.74 |
Cc1cc(C#N)nc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 |
Homo sapiens |
CHEMBL1272914 |
single protein format |
CHEMBL1271107 |
OBDepict
CH
3
N
O
N
H
H
N
O
CH
3
N
CH
3
N
|
IC50 |
= |
32.0 |
nM |
503.69 |
CCC(=O)N1CCC(C(CCN2C[C@H]3CN(C(=O)c4c(C)ncnc4C)C[C@H]3C2)c2ccccc2)CC1 |
Homo sapiens |
CHEMBL1272914 |
single protein format |
CHEMBL1270901 |
OBDepict
H
N
N
H
O
CH
3
N
CH
3
N
N
S
O
O
CH
3
|
IC50 |
= |
34.0 |
nM |
525.72 |
Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 |
Homo sapiens |
CHEMBL1272914 |
single protein format |
CHEMBL1270401 |
OBDepict
F
F
N
N
S
O
O
H
H
N
O
CH
3
N
CH
3
N
|
IC50 |
= |
35.0 |
nM |
559.68 |
Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3cc(F)cc(F)c3)C3CN(S(=O)(=O)C4CC4)C3)C[C@@H]2C1 |
Homo sapiens |
CHEMBL1272914 |
single protein format |
CHEMBL1270693 |
OBDepict
F
F
N
N
F
H
H
N
O
CH
3
N
H
3
C
N
|
IC50 |
= |
35.0 |
nM |
529.65 |
Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3cccc(F)c3)C3CCN(CC(F)F)CC3)C[C@@H]2C1 |
Homo sapiens |
CHEMBL1272914 |
single protein format |
CHEMBL1270303 |
OBDepict
F
N
N
S
O
O
H
H
N
O
CH
3
N
CH
3
N
|
IC50 |
= |
39.0 |
nM |
541.69 |
Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3cccc(F)c3)C3CN(S(=O)(=O)C4CC4)C3)C[C@@H]2C1 |
Homo sapiens |
CHEMBL1272914 |
single protein format |
CHEMBL1270209 |
OBDepict
H
N
N
H
O
CH
3
N
CH
3
N
N
S
O
O
|
IC50 |
= |
40.0 |
nM |
523.7 |
Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CN(S(=O)(=O)C4CC4)C3)C[C@@H]2C1 |
Homo sapiens |
CHEMBL1272914 |
single protein format |
CHEMBL1269885 |
OBDepict
F
N
N
S
O
O
CH
3
H
H
N
O
H
3
C
N
CH
3
N
|
IC50 |
= |
44.0 |
nM |
543.71 |
Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3cccc(F)c3)C3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 |
Homo sapiens |
CHEMBL1272914 |
single protein format |
CHEMBL1271000 |
OBDepict
H
3
C
S
H
3
C
N
O
O
N
H
H
N
O
CH
3
N
CH
3
N
|
IC50 |
= |
47.0 |
nM |
553.77 |
Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CCN(S(=O)(=O)C(C)C)CC3)C[C@@H]2C1 |
Homo sapiens |
CHEMBL1272914 |
single protein format |
CHEMBL1269383 |
OBDepict
O
N
CH
3
N
CH
3
N
H
H
N
N
S
O
O
F
F
F
|
IC50 |
= |
48.0 |
nM |
593.72 |
Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CCN(S(=O)(=O)CC(F)(F)F)CC3)C[C@@H]2C1 |
Homo sapiens |
CHEMBL1272914 |
single protein format |
CHEMBL1270494 |
OBDepict
H
N
N
H
O
CH
3
N
CH
3
N
N
S
O
O
CH
3
|
IC50 |
= |
52.0 |
nM |
497.67 |
Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CN(S(C)(=O)=O)C3)C[C@@H]2C1 |
Homo sapiens |
CHEMBL1272914 |
single protein format |
CHEMBL1271310 |
OBDepict
CH
3
H
3
C
N
O
N
H
H
N
O
CH
3
N
CH
3
N
|
IC50 |
= |
68.0 |
nM |
531.75 |
Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CCN(C(=O)CC(C)C)CC3)C[C@@H]2C1 |
Homo sapiens |
CHEMBL1272914 |
single protein format |
CHEMBL1271207 |
OBDepict
CH
3
H
3
C
N
O
N
H
H
N
O
CH
3
N
CH
3
N
|
IC50 |
= |
72.0 |
nM |
517.72 |
Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CCN(C(=O)C(C)C)CC3)C[C@@H]2C1 |
Homo sapiens |
CHEMBL1272914 |
single protein format |
CHEMBL1270900 |
OBDepict
CH
3
O
N
O
N
H
H
N
O
CH
3
N
CH
3
N
|
IC50 |
= |
102.0 |
nM |
505.66 |
COC(=O)N1CCC(C(CCN2C[C@H]3CN(C(=O)c4c(C)ncnc4C)C[C@H]3C2)c2ccccc2)CC1 |
Homo sapiens |
CHEMBL1272914 |
single protein format |
CHEMBL1269884 |
OBDepict
H
N
N
H
O
CH
3
N
H
3
C
N
N
O
|
IC50 |
= |
207.0 |
nM |
515.7 |
Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CN(C(=O)C4CCCC4)C3)C[C@@H]2C1 |
Homo sapiens |
CHEMBL1272914 |
single protein format |