molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL273264 |
|
Ki |
= |
25.0 |
nM |
347.38 |
N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1 |
Homo sapiens |
CHEMBL3389934 |
single protein format |
CHEMBL273264 |
OBDepict
NH
2
HN
NH
O
O
NH
H
2
N
|
IC50 |
= |
150.0 |
nM |
347.38 |
N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1 |
Homo sapiens |
CHEMBL3404294 |
cell-based format |
CHEMBL3780434 |
OBDepict
H
3
C
O
N
N
O
N
NH
NH
2
|
Ki |
= |
160.0 |
nM |
449.6 |
COCC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(c2cccc(C(=N)N)c2)C1 |
Homo sapiens |
CHEMBL3782552 |
cell-based format |
CHEMBL191881 |
OBDepict
O
NH
H
O
N
H
H
N
H
O
H
3
C
CH
3
HN
H
2
N
HN
H
O
CH
3
CH
3
H
3
C
|
Ki |
= |
188.0 |
nM |
426.56 |
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCCNC(=N)N |
Homo sapiens |
CHEMBL3389934 |
single protein format |
CHEMBL3781354 |
OBDepict
OH
N
N
O
N
HN
NH
2
|
Ki |
= |
230.0 |
nM |
435.57 |
N=C(N)c1cccc(N2CC(CO)CN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1 |
Homo sapiens |
CHEMBL3782552 |
cell-based format |
CHEMBL3403524 |
OBDepict
NH
2
N
H
NH
O
O
Cl
+
N
O
_
O
|
IC50 |
= |
300.0 |
nM |
334.72 |
N=C(N)Nc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2Cl)cc1 |
Homo sapiens |
CHEMBL3404294 |
cell-based format |
CHEMBL3780273 |
OBDepict
O
N
N
N
H
S
N
O
O
CH
3
HN
NH
2
|
Ki |
= |
350.0 |
nM |
498.65 |
CS(=O)(=O)NC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(c2cccc(C(=N)N)c2)C1 |
Homo sapiens |
CHEMBL3782552 |
cell-based format |
CHEMBL3780548 |
OBDepict
O
HN
N
N
O
N
NH
NH
2
|
Ki |
= |
380.0 |
nM |
538.7 |
N=C(N)c1cccc(N2CC(NC(=O)Cc3ccccc3)CN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1 |
Homo sapiens |
CHEMBL3782552 |
cell-based format |
CHEMBL3780036 |
OBDepict
O
N
N
O
N
NH
NH
2
|
Ki |
= |
430.0 |
nM |
525.7 |
N=C(N)c1cccc(N2CC(COCc3ccccc3)CN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1 |
Homo sapiens |
CHEMBL3782552 |
cell-based format |
CHEMBL3781673 |
OBDepict
O
N
N
HN
S
N
O
O
NH
NH
2
|
Ki |
= |
440.0 |
nM |
574.75 |
N=C(N)c1cccc(N2CC(NS(=O)(=O)Cc3ccccc3)CN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1 |
Homo sapiens |
CHEMBL3782552 |
cell-based format |
CHEMBL3781349 |
OBDepict
CH
3
N
N
O
N
NH
H
2
N
|
Ki |
= |
480.0 |
nM |
419.57 |
CC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(c2cccc(C(=N)N)c2)C1 |
Homo sapiens |
CHEMBL3782552 |
cell-based format |
CHEMBL3780005 |
OBDepict
NH
2
NH
N
O
N
HN
S
O
O
N
|
Ki |
= |
520.0 |
nM |
560.72 |
N=C(N)c1cccc(N2CC(NS(=O)(=O)c3ccccc3)CN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1 |
Homo sapiens |
CHEMBL3782552 |
cell-based format |
CHEMBL3403520 |
OBDepict
H
3
C
O
NH
H
H
3
C
HN
O
S
O
O
N
N
H
3
C
HN
NH
2
|
Ki |
= |
590.0 |
nM |
494.58 |
CCc1cc([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)NS(=O)(=O)c2cn(C)cn2)cc2c(C)coc12 |
Homo sapiens |
CHEMBL3404299 |
single protein format |
CHEMBL3403525 |
OBDepict
H
3
C
O
O
O
O
HN
NH
NH
2
|
IC50 |
= |
600.0 |
nM |
363.37 |
COC(=O)c1ccc2cc(OC(=O)c3ccc(NC(=N)N)cc3)ccc2c1 |
Homo sapiens |
CHEMBL3404294 |
cell-based format |
CHEMBL550687 |
OBDepict
NH
2
NH
HN
O
O
+
N
O
_
O
|
IC50 |
= |
820.0 |
nM |
300.27 |
N=C(N)Nc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 |
Homo sapiens |
CHEMBL3404294 |
cell-based format |
CHEMBL3781784 |
OBDepict
OH
N
N
O
N
NH
NH
2
|
Ki |
= |
880.0 |
nM |
421.55 |
N=C(N)c1cccc(N2CC(O)CN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1 |
Homo sapiens |
CHEMBL3782552 |
cell-based format |