molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL38937 |
|
Ki |
= |
1.7 |
nM |
457.92 |
NCCCC(NC(=O)c1ccc(NCc2ccc3nc(N)nc(N)c3c2Cl)cc1)C(=O)O |
Homo sapiens |
CHEMBL678792 |
assay format |
CHEMBL288142 |
OBDepict
H
2
N
N
H
O
OH
O
NH
Cl
N
OH
N
H
2
N
|
Ki |
= |
8.3 |
nM |
458.91 |
NCCCC(NC(=O)c1ccc(NCc2ccc3nc(N)nc(O)c3c2Cl)cc1)C(=O)O |
Homo sapiens |
CHEMBL679521 |
assay format |
CHEMBL130518 |
OBDepict
H
2
N
N
H
O
OH
O
NH
F
F
F
N
OH
N
H
2
N
|
Ki |
= |
8.8 |
nM |
492.46 |
NCCCC(NC(=O)c1ccc(NCc2ccc3nc(N)nc(O)c3c2C(F)(F)F)cc1)C(=O)O |
Homo sapiens |
CHEMBL679521 |
assay format |
CHEMBL133637 |
OBDepict
H
2
N
N
H
O
OH
O
N
H
F
F
F
N
OH
N
H
2
N
|
Ki |
= |
11.0 |
nM |
492.46 |
NCCCC(NC(=O)c1ccc(CNc2ccc3nc(N)nc(O)c3c2C(F)(F)F)cc1)C(=O)O |
Homo sapiens |
CHEMBL679521 |
assay format |
CHEMBL289923 |
OBDepict
H
2
N
N
H
O
OH
O
NH
N
H
N
OH
N
H
2
N
|
Ki |
= |
64.0 |
nM |
429.48 |
NCCCC(NC(=O)c1ccc(NCC2CNc3nc(N)nc(O)c3C2)cc1)C(=O)O |
Homo sapiens |
CHEMBL682447 |
single protein format |
CHEMBL339240 |
OBDepict
H
2
N
HN
O
OH
O
N
H
F
N
OH
N
CH
3
|
Ki |
= |
150.0 |
nM |
441.46 |
Cc1nc(O)c2c(F)c(NCc3ccc(C(=O)NC(CCCN)C(=O)O)cc3)ccc2n1 |
Homo sapiens |
CHEMBL679521 |
assay format |
CHEMBL83868 |
OBDepict
H
2
N
N
H
O
OH
O
NH
N
H
N
H
N
OH
N
H
2
N
|
Ki |
= |
200.0 |
nM |
430.47 |
NCCCC(NC(=O)c1ccc(NCC2CNc3nc(N)nc(O)c3N2)cc1)C(=O)O |
Homo sapiens |
CHEMBL676945 |
single protein format |
CHEMBL331279 |
OBDepict
H
2
N
N
H
O
OH
O
NH
HN
N
OH
N
H
2
N
|
Ki |
= |
200.0 |
nM |
441.49 |
NCCC[C@@H](C(=O)O)N1Cc2cc(NCC3CNc4nc(N)nc(O)c4C3)ccc2C1=O |
Homo sapiens |
CHEMBL676944 |
single protein format |
CHEMBL281656 |
OBDepict
NH
2
N
H
H
O
HO
O
N
H
N
N
N
NH
2
N
H
2
N
|
Ki |
= |
300.0 |
nM |
425.45 |
NCCC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O |
Homo sapiens |
CHEMBL676946 |
single protein format |
CHEMBL43288 |
OBDepict
H
2
N
N
H
O
OH
O
S
N
OH
N
|
Ki |
= |
420.0 |
nM |
426.5 |
NCCCC(NC(=O)c1ccc(SCc2ccc3ncnc(O)c3c2)cc1)C(=O)O |
Homo sapiens |
CHEMBL678792 |
assay format |
CHEMBL335629 |
OBDepict
H
2
N
N
H
O
OH
O
N
H
Cl
N
OH
N
H
2
N
|
Ki |
= |
500.0 |
nM |
458.91 |
NCCCC(NC(=O)c1ccc(CNc2ccc3nc(N)nc(O)c3c2Cl)cc1)C(=O)O |
Homo sapiens |
CHEMBL679521 |
assay format |
CHEMBL340993 |
OBDepict
H
2
N
N
H
O
OH
O
N
H
F
N
OH
N
H
2
N
|
Ki |
= |
900.0 |
nM |
442.45 |
NCCCC(NC(=O)c1ccc(CNc2ccc3nc(N)nc(O)c3c2F)cc1)C(=O)O |
Homo sapiens |
CHEMBL679521 |
assay format |