molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3892788 |
|
IC50 |
= |
291.0 |
nM |
513.83 |
Cc1nnc(C)n1-c1ccc(O[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2N2CC[C@@H](O)C2)c(F)c1.Cl |
Homo sapiens |
CHEMBL3861050 |
cell-based format |
CHEMBL501701 |
OBDepict
H
2
N
N
H
HN
O
N
H
2
N
N
Cl
N
|
Ki |
= |
370.0 |
nM |
311.78 |
N=C(N)NC(=O)c1nc(Cl)c(N2CCCCCC2)nc1N |
Homo sapiens |
CHEMBL3881449 |
cell-based format |
CHEMBL466311 |
OBDepict
H
2
N
N
NH
2
O
N
NH
2
N
Cl
N
|
IC50 |
= |
370.0 |
nM |
297.75 |
NC(N)=NC(=O)c1nc(Cl)c(N2CCCCC2)nc1N |
Homo sapiens |
CHEMBL4257134 |
single protein format |
CHEMBL517986 |
OBDepict
CH
3
N
N
H
3
C
CH
3
Cl
N
H
2
N
N
H
O
NH
NH
2
|
Ki |
= |
420.0 |
nM |
299.77 |
CCN(c1nc(N)c(C(=O)NC(=N)N)nc1Cl)C(C)C |
Homo sapiens |
CHEMBL3881449 |
cell-based format |
CHEMBL517986 |
OBDepict
CH
3
N
N
H
3
C
CH
3
Cl
N
H
2
N
N
H
O
NH
NH
2
|
IC50 |
= |
420.0 |
nM |
299.77 |
CCN(c1nc(N)c(C(=O)NC(=N)N)nc1Cl)C(C)C |
Homo sapiens |
CHEMBL4257134 |
single protein format |