molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4161567 |
|
Ki |
= |
82.0 |
nM |
411.82 |
Cc1[nH]c2c(N3CCC4(CCNC4=O)CC3)c(C#N)c(C(F)(F)F)nc2c1Cl |
Homo sapiens |
CHEMBL4149762 |
cell-based format |
CHEMBL4161567 |
OBDepict
N
N
N
N
F
F
F
H
H
3
C
Cl
O
N
H
|
IC50 |
= |
100.0 |
nM |
411.82 |
Cc1[nH]c2c(N3CCC4(CCNC4=O)CC3)c(C#N)c(C(F)(F)F)nc2c1Cl |
Homo sapiens |
CHEMBL4149751 |
cell-based format |
CHEMBL4168827 |
OBDepict
N
N
N
N
F
F
F
H
H
3
C
Cl
O
N
CH
3
|
IC50 |
= |
120.0 |
nM |
425.84 |
Cc1[nH]c2c(N3CCC4(CCN(C)C4=O)CC3)c(C#N)c(C(F)(F)F)nc2c1Cl |
Homo sapiens |
CHEMBL4149751 |
cell-based format |
CHEMBL4176684 |
OBDepict
N
N
N
N
F
F
F
H
H
3
C
Cl
OH
|
IC50 |
= |
130.0 |
nM |
358.75 |
Cc1[nH]c2c(N3CCC(O)CC3)c(C#N)c(C(F)(F)F)nc2c1Cl |
Homo sapiens |
CHEMBL4149751 |
cell-based format |
CHEMBL4168403 |
OBDepict
N
N
N
N
F
F
F
H
CH
3
Cl
H
2
N
O
H
2
N
|
Ki |
= |
250.0 |
nM |
400.79 |
Cc1[nH]c2c(N3CCC(N)(C(N)=O)CC3)c(C#N)c(C(F)(F)F)nc2c1Cl |
Homo sapiens |
CHEMBL4149762 |
cell-based format |
CHEMBL4168403 |
OBDepict
N
N
N
N
F
F
F
H
CH
3
Cl
H
2
N
O
H
2
N
|
IC50 |
= |
290.0 |
nM |
400.79 |
Cc1[nH]c2c(N3CCC(N)(C(N)=O)CC3)c(C#N)c(C(F)(F)F)nc2c1Cl |
Homo sapiens |
CHEMBL4149751 |
cell-based format |
CHEMBL4175607 |
OBDepict
OH
H
O
N
N
N
N
H
F
F
F
CH
3
Cl
|
IC50 |
= |
380.0 |
nM |
374.75 |
Cc1[nH]c2c(N3CCO[C@H](CO)C3)c(C#N)c(C(F)(F)F)nc2c1Cl |
Homo sapiens |
CHEMBL4149751 |
cell-based format |
CHEMBL4164986 |
OBDepict
OH
H
O
N
N
N
N
H
F
F
F
CH
3
Cl
|
IC50 |
= |
390.0 |
nM |
374.75 |
Cc1[nH]c2c(N3CCO[C@@H](CO)C3)c(C#N)c(C(F)(F)F)nc2c1Cl |
Homo sapiens |
CHEMBL4149751 |
cell-based format |
CHEMBL4176684 |
OBDepict
N
N
N
N
F
F
F
H
H
3
C
Cl
OH
|
Ki |
= |
440.0 |
nM |
358.75 |
Cc1[nH]c2c(N3CCC(O)CC3)c(C#N)c(C(F)(F)F)nc2c1Cl |
Homo sapiens |
CHEMBL4149762 |
cell-based format |
CHEMBL4159390 |
OBDepict
OH
OH
S
HN
O
NH
O
Cl
N
F
|
IC50 |
= |
460.0 |
nM |
515.99 |
O=C(Nc1ccc(Cl)cc1C(=O)N/N=C/c1cccc(F)c1)c1cccc(CSCC(O)CO)c1 |
Homo sapiens |
CHEMBL4149751 |
cell-based format |
CHEMBL4168827 |
OBDepict
N
N
N
N
F
F
F
H
H
3
C
Cl
O
N
CH
3
|
Ki |
= |
530.0 |
nM |
425.84 |
Cc1[nH]c2c(N3CCC4(CCN(C)C4=O)CC3)c(C#N)c(C(F)(F)F)nc2c1Cl |
Homo sapiens |
CHEMBL4149762 |
cell-based format |
CHEMBL4159390 |
OBDepict
OH
OH
S
HN
O
NH
O
Cl
N
F
|
Ki |
= |
690.0 |
nM |
515.99 |
O=C(Nc1ccc(Cl)cc1C(=O)N/N=C/c1cccc(F)c1)c1cccc(CSCC(O)CO)c1 |
Homo sapiens |
CHEMBL4149762 |
cell-based format |
CHEMBL4175607 |
OBDepict
OH
H
O
N
N
N
N
H
F
F
F
CH
3
Cl
|
Ki |
= |
750.0 |
nM |
374.75 |
Cc1[nH]c2c(N3CCO[C@H](CO)C3)c(C#N)c(C(F)(F)F)nc2c1Cl |
Homo sapiens |
CHEMBL4149762 |
cell-based format |