molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4868141 |
|
IC50 |
= |
-200.0 |
nM |
532.67 |
Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804729 |
cell-based format |
CHEMBL4592699 |
OBDepict
H
3
C
NH
F
F
F
N
N
N
N
|
IC50 |
= |
1.0 |
nM |
319.29 |
CC(Nc1nc(-c2ccncc2)nc2cnccc12)C(F)(F)F |
Homo sapiens |
CHEMBL4420662 |
single protein format |
CHEMBL4577857 |
OBDepict
F
F
F
HN
N
N
N
N
|
IC50 |
= |
2.0 |
nM |
345.33 |
FC(F)(F)C1(Nc2nc(-c3ccncc3)nc3cnccc23)CCC1 |
Homo sapiens |
CHEMBL4420662 |
single protein format |
CHEMBL4572019 |
OBDepict
H
3
C
N
CH
3
H
N
F
F
F
N
N
N
|
IC50 |
= |
2.0 |
nM |
333.32 |
C[C@H](N(C)c1nc(-c2ccncc2)nc2cnccc12)C(F)(F)F |
Homo sapiens |
CHEMBL4420662 |
single protein format |
CHEMBL388978 |
OBDepict
CH
3
HN
H
H
O
H
O
N
H
3
C
H
3
C
N
O
N
H
|
IC50 |
= |
3.76 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328469 |
single protein format |
CHEMBL4551441 |
OBDepict
CH
3
NH
H
3
C
H
3
C
N
N
N
N
|
IC50 |
= |
4.0 |
nM |
279.35 |
CC(C)(C)Nc1nc(-c2ccncc2)nc2cnccc12 |
Homo sapiens |
CHEMBL4420662 |
single protein format |
CHEMBL4454440 |
OBDepict
CH
3
NH
H
3
C
H
3
C
N
N
N
|
IC50 |
= |
4.0 |
nM |
278.36 |
CC(C)(C)Nc1cc(-c2ccncc2)nc2cnccc12 |
Homo sapiens |
CHEMBL4420662 |
single protein format |
CHEMBL4585067 |
OBDepict
H
N
N
H
3
C
N
N
NH
N
CH
3
|
IC50 |
= |
4.0 |
nM |
280.34 |
Cc1n[nH]cc1-c1nc(NC2(C)CC2)c2ccncc2n1 |
Homo sapiens |
CHEMBL4420662 |
single protein format |
CHEMBL4439529 |
OBDepict
CH
3
N
F
F
F
H
3
C
N
N
N
N
|
IC50 |
= |
6.0 |
nM |
333.32 |
CC(N(C)c1nc(-c2ccncc2)nc2cnccc12)C(F)(F)F |
Homo sapiens |
CHEMBL4420662 |
single protein format |
CHEMBL4522021 |
OBDepict
F
F
F
NH
N
N
N
N
N
|
IC50 |
= |
8.0 |
nM |
360.34 |
FC(F)(F)C1CN(c2nc(-c3ccncc3)nc3cnccc23)CCN1 |
Homo sapiens |
CHEMBL4420662 |
single protein format |
CHEMBL4464251 |
OBDepict
CH
3
NH
H
3
C
N
N
N
N
|
IC50 |
= |
8.0 |
nM |
265.32 |
CC(C)Nc1nc(-c2ccncc2)nc2cnccc12 |
Homo sapiens |
CHEMBL4420662 |
single protein format |
CHEMBL4532021 |
OBDepict
HO
NH
H
3
C
H
3
C
N
N
N
N
|
IC50 |
= |
11.0 |
nM |
295.35 |
CC(C)(CO)Nc1nc(-c2ccncc2)nc2cnccc12 |
Homo sapiens |
CHEMBL4420662 |
single protein format |
CHEMBL4436873 |
OBDepict
OH
O
HN
CH
3
CH
3
N
N
N
N
|
IC50 |
= |
12.0 |
nM |
339.4 |
CC(C)(COCCO)Nc1nc(-c2ccncc2)nc2cnccc12 |
Homo sapiens |
CHEMBL4420662 |
single protein format |
CHEMBL4574721 |
OBDepict
CH
3
HO
H
3
C
O
NH
H
3
C
H
3
C
N
N
N
N
|
IC50 |
= |
15.0 |
nM |
367.45 |
CC(C)(O)COCC(C)(C)Nc1nc(-c2ccncc2)nc2cnccc12 |
Homo sapiens |
CHEMBL4420662 |
single protein format |
CHEMBL4565580 |
OBDepict
H
3
C
NH
N
N
N
N
N
H
F
F
F
|
IC50 |
= |
15.0 |
nM |
322.29 |
CCCNc1nc(-c2c[nH]nc2C(F)(F)F)nc2cnccc12 |
Homo sapiens |
CHEMBL4420662 |
single protein format |
CHEMBL4476180 |
OBDepict
H
3
C
N
CH
3
H
N
F
F
F
N
N
N
|
IC50 |
= |
18.0 |
nM |
333.32 |
C[C@@H](N(C)c1nc(-c2ccncc2)nc2cnccc12)C(F)(F)F |
Homo sapiens |
CHEMBL4420662 |
single protein format |
CHEMBL4513243 |
OBDepict
Cl
N
N
N
HN
N
CH
3
CH
3
F
F
F
|
IC50 |
= |
20.0 |
nM |
367.76 |
CC(C)(Nc1nc(-c2ccncc2Cl)nc2cnccc12)C(F)(F)F |
Homo sapiens |
CHEMBL4420662 |
single protein format |
CHEMBL4533967 |
OBDepict
CH
3
OH
H
3
C
HN
H
3
C
CH
3
N
N
N
N
|
IC50 |
= |
21.0 |
nM |
337.43 |
CC(C)(O)CC(C)(C)Nc1nc(-c2ccncc2)nc2cnccc12 |
Homo sapiens |
CHEMBL4420662 |
single protein format |
CHEMBL4547445 |
OBDepict
HN
N
N
N
N
|
IC50 |
= |
30.0 |
nM |
291.36 |
c1cc(-c2nc(NC3CCCC3)c3ccncc3n2)ccn1 |
Homo sapiens |
CHEMBL4420662 |
single protein format |
CHEMBL4529548 |
OBDepict
HO
HN
N
N
N
N
|
IC50 |
= |
30.0 |
nM |
307.36 |
OCC1(Nc2nc(-c3ccncc3)nc3cnccc23)CCC1 |
Homo sapiens |
CHEMBL4420662 |
single protein format |
CHEMBL4449036 |
OBDepict
F
F
F
HN
N
N
N
|
IC50 |
= |
34.0 |
nM |
330.31 |
FC(F)(F)C1(Nc2nc(-c3ccncc3)cc3cnccc23)CC1 |
Homo sapiens |
CHEMBL4420662 |
single protein format |
CHEMBL4534258 |
OBDepict
CH
3
N
N
N
N
NH
N
CH
3
|
IC50 |
= |
50.0 |
nM |
294.36 |
Cn1nccc1-c1nc(NC2(C)CCC2)c2ccncc2n1 |
Homo sapiens |
CHEMBL4420662 |
single protein format |
CHEMBL4472817 |
OBDepict
H
3
C
HN
N
N
N
N
|
IC50 |
= |
50.0 |
nM |
265.32 |
CCCNc1nc(-c2ccncc2)nc2cnccc12 |
Homo sapiens |
CHEMBL4420662 |
single protein format |
CHEMBL4571192 |
OBDepict
F
F
F
HN
CH
3
CH
3
N
N
N
N
|
IC50 |
= |
170.0 |
nM |
333.32 |
CC(C)(Nc1nc(-c2ccncc2)nc2cnccc12)C(F)(F)F |
Homo sapiens |
CHEMBL4420662 |
single protein format |