molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL42 |
|
Ki |
= |
1.0 |
nM |
326.83 |
CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1 |
Homo sapiens |
CHEMBL3707498 |
single protein format |
CHEMBL715 |
OBDepict
CH
3
N
N
N
S
N
H
CH
3
|
Ki |
= |
2.0 |
nM |
312.44 |
Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1 |
Homo sapiens |
CHEMBL3707498 |
single protein format |
CHEMBL716 |
OBDepict
HO
O
N
N
N
S
|
Ki |
= |
10.0 |
nM |
383.52 |
OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 |
Homo sapiens |
CHEMBL3707498 |
single protein format |
CHEMBL85 |
OBDepict
F
O
N
N
CH
3
N
O
N
|
Ki |
= |
14.0 |
nM |
410.49 |
Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2 |
Homo sapiens |
CHEMBL3707498 |
single protein format |
CHEMBL708 |
OBDepict
O
N
H
Cl
N
N
N
S
|
Ki |
= |
15.0 |
nM |
412.95 |
O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1 |
Homo sapiens |
CHEMBL3707498 |
single protein format |
CHEMBL1112 |
OBDepict
O
NH
O
N
N
Cl
Cl
|
Ki |
= |
28.0 |
nM |
448.39 |
O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1 |
Homo sapiens |
CHEMBL3707498 |
single protein format |
CHEMBL54 |
OBDepict
F
O
N
HO
Cl
|
Ki |
= |
780.0 |
nM |
375.87 |
O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 |
Homo sapiens |
CHEMBL3707498 |
single protein format |