molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4516990 |
|
IC50 |
= |
1.1 |
nM |
434.59 |
CN1CCc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc2C1 |
Homo sapiens |
CHEMBL4308984 |
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 |
= |
2.67 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328648 |
single protein format |
CHEMBL3605055 |
OBDepict
H
N
N
N
H
N
N
H
N
N
N
H
|
IC50 |
= |
13.0 |
nM |
396.46 |
c1ccc2c(Nc3cc(C4CCC4)[nH]n3)nc(Nc3ccc4[nH]cnc4c3)nc2c1 |
Homo sapiens |
CHEMBL3606872 |
cell-based format |
CHEMBL4127042 |
OBDepict
H
3
C
N
N
H
N
N
N
H
NH
NH
|
IC50 |
= |
38.0 |
nM |
433.6 |
CN1CCc2cc(Nc3ncc(C4CC4)c(NCCCNC(=N)C4CCC4)n3)ccc2C1 |
Homo sapiens |
CHEMBL4121193 |
single protein format |
CHEMBL4784530 |
OBDepict
O
N
H
HN
N
N
N
O
|
IC50 |
= |
38.0 |
nM |
463.63 |
O=C(NCCCNc1nc(Cc2cccc(CN3CCOCC3)c2)ncc1C1CC1)C1CCC1 |
Homo sapiens |
CHEMBL4711125 |
single protein format |
CHEMBL3603853 |
OBDepict
O
N
H
NH
N
I
N
NH
N
H
N
O
|
IC50 |
= |
200.0 |
nM |
549.42 |
O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)C1CC1 |
Homo sapiens |
CHEMBL3606872 |
cell-based format |
CHEMBL3605057 |
OBDepict
O
N
H
HN
N
N
N
H
N
O
|
IC50 |
= |
230.0 |
nM |
464.61 |
O=C(NCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1)C1CCC1 |
Homo sapiens |
CHEMBL3606872 |
cell-based format |
CHEMBL577784 |
OBDepict
O
N
N
H
NH
N
N
NH
I
N
H
O
S
|
IC50 |
= |
310.0 |
nM |
591.48 |
O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1 |
Homo sapiens |
CHEMBL3606872 |
cell-based format |
CHEMBL3605056 |
OBDepict
NH
2
HN
N
I
N
N
H
N
H
N
O
|
IC50 |
= |
360.0 |
nM |
481.34 |
NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I |
Homo sapiens |
CHEMBL3606872 |
cell-based format |
CHEMBL4779423 |
OBDepict
CH
3
O
O
N
H
CH
3
N
N
HN
F
F
F
|
IC50 |
= |
476.0 |
nM |
354.33 |
COc1ccc(Nc2ncc(C(F)(F)F)c(NC3CC3)n2)cc1OC |
Homo sapiens |
CHEMBL4677635 |
cell-based format |
CHEMBL4795918 |
OBDepict
CH
3
O
N
N
H
N
N
HN
F
F
F
|
IC50 |
= |
695.0 |
nM |
325.29 |
COc1cncc(Nc2ncc(C(F)(F)F)c(NC3CC3)n2)c1 |
Homo sapiens |
CHEMBL4677635 |
cell-based format |
CHEMBL4128069 |
OBDepict
CH
3
HN
O
O
N
Br
N
N
H
O
O
H
3
C
O
H
3
C
CH
3
|
IC50 |
= |
711.0 |
nM |
489.33 |
CNC(=O)c1ccccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br |
Homo sapiens |
CHEMBL4121193 |
single protein format |
CHEMBL4746440 |
OBDepict
F
F
F
N
HN
N
N
H
N
|
IC50 |
= |
714.0 |
nM |
345.33 |
FC(F)(F)c1cnc(Nc2ccc3ncccc3c2)nc1NC1CC1 |
Homo sapiens |
CHEMBL4677635 |
cell-based format |
CHEMBL4741912 |
OBDepict
H
N
N
NH
N
N
N
H
F
F
F
|
IC50 |
= |
720.0 |
nM |
334.31 |
FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1NC1CC1 |
Homo sapiens |
CHEMBL4677635 |
cell-based format |