molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL595105 |
|
IC50 |
< |
100.0 |
nM |
514.67 |
Cc1ccnc(NCC2CCN(c3ccc(CC(NC(=O)c4c(C)cc(C)cc4C)C(=O)O)cc3)CC2)c1 |
Homo sapiens |
CHEMBL3705530 |
single protein format |
CHEMBL3681919 |
OBDepict
HO
O
N
H
O
CH
3
CH
3
N
H
3
C
N
N
H
|
IC50 |
< |
100.0 |
nM |
526.68 |
Cc1cc(C)c(C(=O)NC(Cc2ccc(N3CCC(c4ccc5c(n4)NCCC5)CC3)cc2)C(=O)O)c(C)c1 |
Homo sapiens |
CHEMBL3705530 |
single protein format |
CHEMBL3681920 |
OBDepict
O
N
N
NH
HN
O
OH
O
H
3
C
|
IC50 |
< |
100.0 |
nM |
484.64 |
CC1(C(=O)NC(CC2CCN(C(=O)CCc3ccc4c(n3)NCCC4)CC2)C(=O)O)CCCCC1 |
Homo sapiens |
CHEMBL3705530 |
single protein format |
CHEMBL3681921 |
OBDepict
OH
O
HN
O
CH
3
N
NH
N
CH
3
|
IC50 |
< |
100.0 |
nM |
492.66 |
Cc1ccnc(NCC2CCN(c3ccc(CC(NC(=O)C4(C)CCCCC4)C(=O)O)cc3)CC2)c1 |
Homo sapiens |
CHEMBL3705530 |
single protein format |
CHEMBL3681917 |
OBDepict
CH
3
N
NH
N
O
NH
O
HO
O
H
3
C
CH
3
CH
3
|
IC50 |
< |
100.0 |
nM |
514.63 |
Cc1ccnc(NCC2CC(=O)N(c3ccc(CC(NC(=O)c4c(C)cc(C)cc4C)C(=O)O)cc3)C2)c1 |
Homo sapiens |
CHEMBL3705530 |
single protein format |
CHEMBL590354 |
OBDepict
CH
3
F
HN
O
CH
3
O
OH
N
NH
N
|
IC50 |
< |
100.0 |
nM |
518.63 |
CCc1cc(F)cc(C)c1C(=O)NC(Cc1ccc(N2CCC(CNc3ccccn3)CC2)cc1)C(=O)O |
Homo sapiens |
CHEMBL3705530 |
single protein format |
CHEMBL591543 |
OBDepict
CH
3
O
N
NH
N
N
H
O
OH
O
CH
3
CH
3
H
3
C
|
IC50 |
< |
100.0 |
nM |
530.67 |
COc1ccnc(NCC2CCN(c3ccc(CC(NC(=O)c4c(C)cc(C)cc4C)C(=O)O)cc3)CC2)c1 |
Homo sapiens |
CHEMBL3705530 |
single protein format |
CHEMBL3681922 |
OBDepict
OH
O
N
H
O
N
N
H
N
CH
3
|
IC50 |
< |
100.0 |
nM |
472.59 |
Cc1ccnc(NCC2CCN(c3ccc(CC(NC(=O)c4ccccc4)C(=O)O)cc3)CC2)c1 |
Homo sapiens |
CHEMBL3705530 |
single protein format |
CHEMBL3681923 |
OBDepict
HO
O
NH
O
CH
3
H
3
C
N
HN
N
H
3
C
|
IC50 |
< |
100.0 |
nM |
528.7 |
Cc1ccnc(NCC2CCN(c3ccc(CC(NC(=O)C(c4ccccc4)C(C)C)C(=O)O)cc3)CC2)c1 |
Homo sapiens |
CHEMBL3705530 |
single protein format |
CHEMBL3681924 |
OBDepict
CH
3
NH
HN
O
N
NH
O
OH
O
H
3
C
CH
3
CH
3
|
IC50 |
< |
100.0 |
nM |
508.66 |
CCCNC(=O)NCC1CCN(c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(=O)O)cc2)CC1 |
Homo sapiens |
CHEMBL3705530 |
single protein format |