molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL1230640 |
|
IC50 |
= |
140.0 |
nM |
189.17 |
O=C(O)c1ccc(O)c2ncccc12 |
Homo sapiens |
CHEMBL3112251 |
single protein format |
CHEMBL3188597 |
OBDepict
OH
O
HN
N
N
N
N
|
IC50 |
= |
150.0 |
nM |
389.46 |
O=C(O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1 |
Homo sapiens |
CHEMBL3757620 |
single protein format |
CHEMBL3753391 |
OBDepict
HO
O
NH
N
N
N
N
N
|
IC50 |
= |
150.0 |
nM |
378.44 |
O=C(O)CCNc1nc(N2CCc3ccccc3CC2)cc(-n2cccn2)n1 |
Homo sapiens |
CHEMBL3757620 |
single protein format |
CHEMBL3752893 |
OBDepict
HO
O
NH
N
N
N
N
S
|
IC50 |
= |
200.0 |
nM |
395.49 |
O=C(O)CCNc1nc(-c2nccs2)cc(N2CCc3ccccc3CC2)n1 |
Homo sapiens |
CHEMBL3757620 |
single protein format |
CHEMBL3752179 |
OBDepict
HO
O
NH
N
N
N
N
N
N
|
IC50 |
= |
210.0 |
nM |
379.42 |
O=C(O)CCNc1nc(N2CCc3ccccc3CC2)cc(-n2ccnn2)n1 |
Homo sapiens |
CHEMBL3757620 |
single protein format |
CHEMBL3753740 |
OBDepict
HO
O
NH
N
N
N
N
N
N
|
IC50 |
= |
270.0 |
nM |
379.42 |
O=C(O)CCNc1nc(N2CCc3ccccc3CC2)cc(-n2nccn2)n1 |
Homo sapiens |
CHEMBL3757620 |
single protein format |
CHEMBL3752769 |
OBDepict
HO
O
NH
N
N
N
N
N
|
IC50 |
= |
490.0 |
nM |
364.41 |
O=C(O)CCNc1nc(N2CCc3ccccc3C2)cc(-n2cccn2)n1 |
Homo sapiens |
CHEMBL3757620 |
single protein format |
CHEMBL3752835 |
OBDepict
HO
O
NH
N
N
N
N
N
N
F
|
IC50 |
= |
550.0 |
nM |
411.44 |
O=C(O)CCNc1nc(N2CCN(c3ccc(F)cc3)CC2)cc(-n2cccn2)n1 |
Homo sapiens |
CHEMBL3757620 |
single protein format |
CHEMBL3752143 |
OBDepict
OH
O
HN
N
N
N
N
S
N
F
|
IC50 |
= |
600.0 |
nM |
428.49 |
O=C(O)CCNc1nc(-c2nccs2)cc(N2CCN(c3ccc(F)cc3)CC2)n1 |
Homo sapiens |
CHEMBL3757620 |
single protein format |
CHEMBL3752551 |
OBDepict
HO
O
NH
N
N
N
N
N
N
Cl
Cl
|
IC50 |
= |
740.0 |
nM |
462.34 |
O=C(O)CCNc1nc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc(-n2cccn2)n1 |
Homo sapiens |
CHEMBL3757620 |
single protein format |
CHEMBL3753449 |
OBDepict
HO
O
NH
N
N
N
N
N
|
IC50 |
= |
750.0 |
nM |
392.46 |
O=C(O)CCNc1nc(N2CCC(c3ccccc3)CC2)cc(-n2cccn2)n1 |
Homo sapiens |
CHEMBL3757620 |
single protein format |
CHEMBL3752294 |
OBDepict
OH
O
HN
N
N
N
N
S
N
N
|
IC50 |
= |
900.0 |
nM |
411.49 |
O=C(O)CCNc1nc(-c2nccs2)cc(N2CCN(c3ccccn3)CC2)n1 |
Homo sapiens |
CHEMBL3757620 |
single protein format |
CHEMBL3752343 |
OBDepict
HO
O
NH
N
N
N
N
S
N
Cl
Cl
|
IC50 |
= |
940.0 |
nM |
479.39 |
O=C(O)CCNc1nc(-c2nccs2)cc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)n1 |
Homo sapiens |
CHEMBL3757620 |
single protein format |
CHEMBL3753199 |
OBDepict
HO
O
NH
N
N
N
N
S
|
IC50 |
= |
990.0 |
nM |
381.46 |
O=C(O)CCNc1nc(-c2nccs2)cc(N2CCc3ccccc3C2)n1 |
Homo sapiens |
CHEMBL3757620 |
single protein format |
CHEMBL4280291 |
OBDepict
F
N
N
N
N
N
N
H
F
F
F
|
IC50 |
= |
1000.0 |
nM |
402.36 |
Fc1ccc(CCn2cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c2)cc1 |
Homo sapiens |
CHEMBL4257004 |
cell-based format |
CHEMBL3774692 |
OBDepict
NH
2
S
N
N
O
OH
|
IC50 |
= |
1000.0 |
nM |
221.24 |
Nc1nc(-c2cc(C(=O)O)ccn2)cs1 |
Homo sapiens |
CHEMBL3776391 |
single protein format |
CHEMBL3753326 |
OBDepict
HO
O
NH
N
N
N
N
N
N
N
|
IC50 |
= |
1000.0 |
nM |
394.44 |
O=C(O)CCNc1nc(N2CCN(c3ccccn3)CC2)cc(-n2cccn2)n1 |
Homo sapiens |
CHEMBL3757620 |
single protein format |
CHEMBL4293697 |
OBDepict
F
N
N
N
N
N
N
H
F
F
F
|
IC50 |
= |
1000.0 |
nM |
402.36 |
Fc1cccc(CCn2cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c2)c1 |
Homo sapiens |
CHEMBL4257004 |
cell-based format |