molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL2049154 |
|
Ki |
= |
1.0 |
nM |
588.72 |
CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc(C(=N)N)cc1)C(C)C |
Homo sapiens |
CHEMBL2051583 |
single protein format |
CHEMBL488769 |
OBDepict
NH
2
HN
HN
O
H
H
N
H
H
O
H
NH
NH
H
2
N
HN
NH
2
NH
NH
H
2
N
|
Ki |
= |
6.0 |
nM |
546.64 |
N=C(N)Nc1ccc(O[C@H]2C[C@@H](Oc3ccc(NC(=N)N)c4ccccc34)[C@H](NC(=N)N)C[C@@H]2NC(=N)N)cc1 |
Homo sapiens |
CHEMBL998935 |
single protein format |
CHEMBL485694 |
OBDepict
H
O
H
HN
H
O
H
HN
NH
NH
2
HN
NH
2
N
H
NH
HN
NH
2
HN
NH
2
|
Ki |
= |
12.0 |
nM |
496.58 |
N=C(N)Nc1ccc(O[C@H]2C[C@@H](Oc3ccc(NC(=N)N)cc3)[C@H](NC(=N)N)C[C@@H]2NC(=N)N)cc1 |
Homo sapiens |
CHEMBL998935 |
single protein format |
CHEMBL522615 |
OBDepict
H
2
N
NH
NH
NH
2
O
H
H
N
H
H
O
H
HN
NH
NH
2
NH
H
2
N
HN
HN
NH
2
|
Ki |
= |
22.0 |
nM |
561.66 |
N=C(N)Nc1ccc(O[C@H]2C[C@@H](Oc3ccc(NC(=N)N)c4ccccc34)[C@H](NC(=N)N)C[C@@H]2NC(=N)N)c(N)c1 |
Homo sapiens |
CHEMBL998935 |
single protein format |
CHEMBL487946 |
OBDepict
H
2
N
HN
NH
H
H
O
H
N
H
H
O
N
NH
H
2
N
N
N
H
N
H
NH
NH
2
NH
H
2
N
|
Ki |
= |
42.0 |
nM |
498.56 |
N=C(N)Nc1ccc(O[C@H]2C[C@@H](Oc3ccc(NC(=N)N)cn3)[C@H](NC(=N)N)C[C@@H]2NC(=N)N)nc1 |
Homo sapiens |
CHEMBL998935 |
single protein format |
CHEMBL506022 |
OBDepict
NH
2
N
H
NH
O
H
H
N
H
H
O
H
NH
HN
NH
2
NH
HN
HN
NH
2
NH
H
2
N
|
Ki |
= |
46.0 |
nM |
587.69 |
N=C(N)Nc1ccc(N[C@H]2C[C@@H](NC(=N)N)[C@H](Oc3ccc(NC(=N)N)cc3)C[C@@H]2Oc2ccc(NC(=N)N)cc2)cc1 |
Homo sapiens |
CHEMBL998935 |
single protein format |
CHEMBL505581 |
OBDepict
H
2
N
N
H
HN
H
H
O
H
NH
H
O
HN
NH
2
NH
N
H
HN
NH
2
NH
NH
2
|
Ki |
= |
69.0 |
nM |
596.7 |
N=C(N)Nc1ccc(O[C@H]2C[C@@H](Oc3ccc(NC(=N)N)c4ccccc34)[C@H](NC(=N)N)C[C@@H]2NC(=N)N)c2ccccc12 |
Homo sapiens |
CHEMBL998935 |
single protein format |
CHEMBL490273 |
OBDepict
H
2
N
NH
NH
O
H
H
N
H
H
O
H
N
H
NH
NH
2
NH
NH
H
2
N
N
H
NH
H
2
N
HN
NH
2
|
Ki |
= |
89.0 |
nM |
553.64 |
N=C(N)Nc1ccc(O[C@@H]2C[C@H](Oc3ccc(NC(=N)N)cc3NC(=N)N)[C@@H](NC(=N)N)C[C@H]2NC(=N)N)cc1 |
Homo sapiens |
CHEMBL998935 |
single protein format |
CHEMBL4869416 |
OBDepict
CH
3
O
OH
N
H
HO
N
O
N
S
N
H
H
O
O
N
H
O
O
HO
|
IC50 |
= |
290.0 |
nM |
555.53 |
COc1cc(C(NC2=NC(=O)C(CC(=O)Nc3ccc(C(=O)O)cc3)S2)c2c(O)[nH]c(=O)[nH]c2=O)ccc1O |
Homo sapiens |
CHEMBL4822922 |
single protein format |
CHEMBL4877358 |
OBDepict
HN
NH
N
N
O
HN
N
N
H
OH
N
O
N
N
H
NH
N
HO
|
IC50 |
= |
290.0 |
nM |
504.47 |
N=C(N/N=C/c1ccccc1O)c1nonc1NCNc1nonc1C(=N)N/N=C/c1ccccc1O |
Homo sapiens |
CHEMBL4822922 |
single protein format |
CHEMBL1644915 |
OBDepict
NH
2
NH
HN
N
H
O
N
CH
3
N
H
3
C
NH
N
H
HN
NH
2
HN
NH
2
|
Ki |
= |
460.0 |
nM |
416.49 |
C/C(=NNC(=N)N)c1cc(NC(=O)CCCNC(=N)N)cc(/C(C)=N/NC(=N)N)c1 |
Homo sapiens |
CHEMBL1646242 |
single protein format |
CHEMBL451430 |
OBDepict
H
O
H
HN
H
O
N
H
O
H
HN
NH
H
2
N
N
H
O
HN
NH
2
N
H
N
H
HN
NH
2
HN
NH
2
|
Ki |
= |
812.0 |
nM |
582.63 |
N=C(N)Nc1ccc(NC(=O)O[C@H]2C[C@@H](OC(=O)Nc3ccc(NC(=N)N)cc3)[C@H](NC(=N)N)C[C@@H]2NC(=N)N)cc1 |
Homo sapiens |
CHEMBL998935 |
single protein format |