molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4440294 |
|
IC50 |
= |
21.0 |
nM |
499.68 |
CC(C)Cc1nnc(SCc2ccc(C(=O)Nc3ccc(N(C)C)cc3)cc2)n1Cc1ccccc1 |
Homo sapiens |
CHEMBL4412200 |
cell-based format |
CHEMBL4459864 |
OBDepict
H
3
C
O
S
N
N
N
O
N
H
O
|
IC50 |
= |
24.0 |
nM |
542.71 |
COc1ccc(CSc2nnc(-c3ccc(OCC(=O)NC4CCCCC4)cc3)n2Cc2ccccc2)cc1 |
Homo sapiens |
CHEMBL4412200 |
cell-based format |
CHEMBL4527667 |
OBDepict
H
3
C
O
S
N
N
N
O
N
H
O
N
|
IC50 |
= |
25.0 |
nM |
537.65 |
COc1ccc(CSc2nnc(-c3ccc(OCC(=O)Nc4cccnc4)cc3)n2Cc2ccccc2)cc1 |
Homo sapiens |
CHEMBL4412200 |
cell-based format |
CHEMBL4555739 |
OBDepict
H
3
C
O
N
N
N
O
CH
3
N
H
O
N
N
H
3
C
|
IC50 |
= |
25.2 |
nM |
536.64 |
COc1ccc(CCc2nnc(-c3ccc(OC(C)C(=O)Nc4cnn(C)c4)cc3)n2Cc2ccccc2)cc1 |
Homo sapiens |
CHEMBL4412200 |
cell-based format |
CHEMBL4532027 |
OBDepict
H
3
C
O
N
H
O
N
N
CH
3
N
N
N
O
H
3
C
|
IC50 |
= |
26.4 |
nM |
550.66 |
CCC(Oc1ccc(-c2nnc(CCc3ccc(OC)cc3)n2Cc2ccccc2)cc1)C(=O)Nc1cnn(C)c1 |
Homo sapiens |
CHEMBL4412200 |
cell-based format |
CHEMBL4548659 |
OBDepict
CH
3
H
3
C
N
N
N
S
NH
O
F
|
IC50 |
= |
27.0 |
nM |
474.61 |
CC(C)Cc1nnc(SCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)n1Cc1ccccc1 |
Homo sapiens |
CHEMBL4412200 |
cell-based format |
CHEMBL4514611 |
OBDepict
H
3
C
O
S
N
N
N
O
N
H
O
N
N
H
3
C
|
IC50 |
= |
27.3 |
nM |
540.65 |
COc1ccc(CSc2nnc(-c3ccc(OCC(=O)Nc4cnn(C)c4)cc3)n2Cc2ccccc2)cc1 |
Homo sapiens |
CHEMBL4412200 |
cell-based format |
CHEMBL4536719 |
OBDepict
H
3
C
CH
3
N
N
N
S
N
H
O
|
IC50 |
= |
30.0 |
nM |
462.66 |
CC(C)Cc1nnc(SCc2ccc(C(=O)NC3CCCCC3)cc2)n1Cc1ccccc1 |
Homo sapiens |
CHEMBL4412200 |
cell-based format |
CHEMBL4440110 |
OBDepict
CH
3
H
3
C
N
N
N
S
NH
O
F
|
IC50 |
= |
33.0 |
nM |
474.61 |
CC(C)Cc1nnc(SCc2ccc(C(=O)Nc3ccccc3F)cc2)n1Cc1ccccc1 |
Homo sapiens |
CHEMBL4412200 |
cell-based format |
CHEMBL4589625 |
OBDepict
H
3
C
O
N
N
N
O
CH
3
CH
3
N
H
O
N
N
H
3
C
|
IC50 |
= |
33.6 |
nM |
550.66 |
COc1ccc(CCc2nnc(-c3ccc(OC(C)(C)C(=O)Nc4cnn(C)c4)cc3)n2Cc2ccccc2)cc1 |
Homo sapiens |
CHEMBL4412200 |
cell-based format |
CHEMBL4588289 |
OBDepict
H
3
C
CH
3
N
N
N
S
N
H
O
|
IC50 |
= |
35.0 |
nM |
456.62 |
CC(C)Cc1nnc(SCc2ccc(C(=O)Nc3ccccc3)cc2)n1Cc1ccccc1 |
Homo sapiens |
CHEMBL4412200 |
cell-based format |
CHEMBL4566147 |
OBDepict
CH
3
H
3
C
N
N
N
S
NH
O
F
|
IC50 |
= |
37.0 |
nM |
474.61 |
CC(C)Cc1nnc(SCc2ccc(C(=O)Nc3cccc(F)c3)cc2)n1Cc1ccccc1 |
Homo sapiens |
CHEMBL4412200 |
cell-based format |
CHEMBL4585643 |
OBDepict
CH
3
H
3
C
N
N
N
S
NH
O
|
IC50 |
= |
39.0 |
nM |
532.71 |
CC(C)Cc1nnc(SCc2ccc(C(=O)Nc3ccc(-c4ccccc4)cc3)cc2)n1Cc1ccccc1 |
Homo sapiens |
CHEMBL4412200 |
cell-based format |
CHEMBL4443518 |
OBDepict
H
3
C
O
S
N
N
N
O
N
H
O
N
CH
3
N
H
3
C
|
IC50 |
= |
40.3 |
nM |
554.68 |
COc1ccc(CSc2nnc(-c3ccc(OCC(=O)Nc4cc(C)nn4C)cc3)n2Cc2ccccc2)cc1 |
Homo sapiens |
CHEMBL4412200 |
cell-based format |
CHEMBL4449262 |
OBDepict
H
3
C
O
N
N
N
O
N
H
O
N
N
H
3
C
|
IC50 |
= |
40.9 |
nM |
522.61 |
COc1ccc(CCc2nnc(-c3ccc(OCC(=O)Nc4cnn(C)c4)cc3)n2Cc2ccccc2)cc1 |
Homo sapiens |
CHEMBL4412200 |
cell-based format |
CHEMBL4439169 |
OBDepict
H
3
C
O
S
N
N
N
O
N
H
O
N
H
3
C
CH
3
|
IC50 |
= |
41.1 |
nM |
579.73 |
COc1ccc(CSc2nnc(-c3ccc(OCC(=O)Nc4ccc(N(C)C)cc4)cc3)n2Cc2ccccc2)cc1 |
Homo sapiens |
CHEMBL4412200 |
cell-based format |
CHEMBL4443194 |
OBDepict
CH
3
O
N
H
O
S
N
N
N
CH
3
H
3
C
|
IC50 |
= |
43.0 |
nM |
486.64 |
COc1ccc(NC(=O)c2ccc(CSc3nnc(CC(C)C)n3Cc3ccccc3)cc2)cc1 |
Homo sapiens |
CHEMBL4412200 |
cell-based format |
CHEMBL4590921 |
OBDepict
CH
3
H
3
C
N
N
N
S
NH
O
F
F
F
|
IC50 |
= |
61.0 |
nM |
524.61 |
CC(C)Cc1nnc(SCc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)n1Cc1ccccc1 |
Homo sapiens |
CHEMBL4412200 |
cell-based format |
CHEMBL4538447 |
OBDepict
CH
3
H
3
C
N
N
N
S
NH
O
F
F
F
|
IC50 |
= |
64.0 |
nM |
524.61 |
CC(C)Cc1nnc(SCc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)n1Cc1ccccc1 |
Homo sapiens |
CHEMBL4412200 |
cell-based format |
CHEMBL4450839 |
OBDepict
CH
3
H
3
C
N
N
N
S
NH
O
N
|
IC50 |
= |
113.0 |
nM |
507.66 |
CC(C)Cc1nnc(SCc2ccc(C(=O)Nc3ccc4ncccc4c3)cc2)n1Cc1ccccc1 |
Homo sapiens |
CHEMBL4412200 |
cell-based format |
CHEMBL4541410 |
OBDepict
H
3
C
N
N
N
S
N
H
O
F
|
IC50 |
= |
137.0 |
nM |
446.55 |
CCc1nnc(SCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)n1Cc1ccccc1 |
Homo sapiens |
CHEMBL4412200 |
cell-based format |
CHEMBL4565589 |
OBDepict
F
NH
O
S
N
N
N
CH
3
|
IC50 |
= |
540.0 |
nM |
432.52 |
Cc1nnc(SCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)n1Cc1ccccc1 |
Homo sapiens |
CHEMBL4412200 |
cell-based format |