molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4873876 |
|
Ki |
= |
0.074 |
nM |
498.92 |
CCOCc1[nH]c(=O)c(-c2nnc(Cc3ccc(Cl)cn3)o2)c(O)c1-c1c(OC)cccc1OC |
Homo sapiens |
CHEMBL4821007 |
cell membrane format |
CHEMBL4647996 |
OBDepict
H
3
C
OH
NH
O
N
H
H
O
N
N
CH
3
H
3
C
O
O
H
3
C
CH
3
|
Ki |
= |
36.0 |
nM |
556.75 |
CCC(O)CNC(=O)C[C@H](CCC1CCCCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |
Homo sapiens |
CHEMBL4627571 |
cell-based format |
CHEMBL4640815 |
OBDepict
CH
3
HO
H
HN
O
N
H
H
O
N
N
CH
3
H
3
C
O
O
H
3
C
CH
3
|
Ki |
= |
38.0 |
nM |
556.75 |
CC[C@@H](O)CNC(=O)C[C@H](CCC1CCCCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |
Homo sapiens |
CHEMBL4627571 |
cell-based format |
CHEMBL4632564 |
OBDepict
H
3
C
O
O
N
H
3
C
N
N
H
O
CH
3
H
3
C
H
HN
O
|
Ki |
= |
54.0 |
nM |
538.73 |
COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCC2CCCCC2)CC(=O)NC2CCC2)nn1CC(C)C |
Homo sapiens |
CHEMBL4627571 |
cell-based format |
CHEMBL4647910 |
OBDepict
CH
3
O
O
N
H
3
C
N
N
H
O
H
HN
O
|
Ki |
= |
59.0 |
nM |
550.74 |
COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCC2CCCCC2)CC(=O)NC2CCC2)nn1C1CCCC1 |
Homo sapiens |
CHEMBL4627571 |
cell-based format |
CHEMBL4644803 |
OBDepict
H
3
C
N
N
N
H
O
O
O
CH
3
H
3
C
H
NH
O
|
Ki |
= |
60.0 |
nM |
524.71 |
CCCn1nc(C(=O)N[C@@H](CCC2CCCCC2)CC(=O)NC2CCC2)cc1-c1c(OC)cccc1OC |
Homo sapiens |
CHEMBL4627571 |
cell-based format |
CHEMBL4875417 |
OBDepict
H
3
C
O
O
N
CH
3
N
N
H
O
H
NH
O
N
ClH
|
Ki |
= |
90.0 |
nM |
588.19 |
COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NC2CCC2)nn1C1CCCC1.Cl |
Homo sapiens |
CHEMBL4823545 |
single protein format |
CHEMBL4640653 |
OBDepict
H
3
C
O
O
N
H
3
C
O
N
H
H
O
N
N
O
O
CH
3
H
3
C
H
3
C
CH
3
|
Ki |
= |
134.0 |
nM |
550.66 |
COC(=O)CN(C)C(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |
Homo sapiens |
CHEMBL4627571 |
cell-based format |
CHEMBL4647391 |
OBDepict
CH
3
O
O
N
H
3
C
N
N
H
O
H
HN
O
|
Ki |
= |
147.0 |
nM |
564.77 |
COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCC2CCCCC2)CC(=O)NC2CCC2)nn1C1CCCCC1 |
Homo sapiens |
CHEMBL4627571 |
cell-based format |
CHEMBL4647853 |
OBDepict
H
3
C
O
NH
O
N
H
H
O
N
N
CH
3
H
3
C
O
O
H
3
C
CH
3
|
Ki |
= |
172.0 |
nM |
554.73 |
CCC(=O)CNC(=O)C[C@H](CCC1CCCCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |
Homo sapiens |
CHEMBL4627571 |
cell-based format |
CHEMBL4647332 |
OBDepict
H
3
C
O
O
NH
O
N
H
H
O
N
N
O
O
H
3
C
CH
3
CH
3
CH
3
|
Ki |
= |
187.0 |
nM |
536.63 |
COC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |
Homo sapiens |
CHEMBL4627571 |
cell-based format |
CHEMBL4640390 |
OBDepict
H
3
C
O
O
N
H
3
C
N
N
H
O
CH
3
H
3
C
H
HN
O
|
Ki |
= |
449.0 |
nM |
532.69 |
COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCc2ccccc2)CC(=O)NC2CCC2)nn1CC(C)C |
Homo sapiens |
CHEMBL4627571 |
cell-based format |
CHEMBL4641474 |
OBDepict
H
3
C
O
NH
O
N
H
H
O
N
N
O
O
H
3
C
CH
3
CH
3
CH
3
|
Ki |
= |
571.0 |
nM |
534.66 |
CCC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |
Homo sapiens |
CHEMBL4627571 |
cell-based format |
CHEMBL3818101 |
OBDepict
CH
3
O
O
N
CH
3
N
N
H
O
H
F
O
HO
CH
3
CH
3
|
Ki |
= |
600.0 |
nM |
469.51 |
COc1cccc(OC)c1-c1cc(C(=O)N[C@H](CC(=O)O)CC(C)C)nn1-c1ccc(F)cc1 |
Homo sapiens |
CHEMBL3820078 |
cell-based format |