molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL402005 |
|
IC50 |
= |
36.0 |
nM |
539.61 |
O=C(NS(=O)(=O)c1ccc(NCCS2=CC=CC=C2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(F)cc2)cc1 |
Homo sapiens |
CHEMBL925858 |
single protein format |
CHEMBL4872320 |
OBDepict
Cl
N
O
OH
|
Ki |
= |
100.0 |
nM |
487.99 |
O=C(O)c1ccccc1-c1cccc2c1c(-c1cccc(Cl)c1)cn2Cc1cccc2ccccc12 |
Homo sapiens |
CHEMBL4813625 |
single protein format |
CHEMBL481581 |
OBDepict
H
3
C
N
O
N
N
Cl
CH
3
CH
3
N
O
H
NH
2
|
IC50 |
= |
250.0 |
nM |
536.12 |
CCCCN(CCCC)C(=O)c1nn(-c2ccccc2C(=O)N2Cc3ccccc3C[C@H]2CN)c(C)c1Cl |
Homo sapiens |
CHEMBL1019893 |
single protein format |
CHEMBL4872671 |
OBDepict
OH
O
N
O
F
F
F
|
Ki |
= |
250.0 |
nM |
551.56 |
O=C(O)c1ccccc1-c1cccc2c1c(-c1cccc(C(F)(F)F)c1)cn2CCOc1cccc2ccccc12 |
Homo sapiens |
CHEMBL4813625 |
single protein format |
CHEMBL4864929 |
OBDepict
HO
O
N
H
3
C
O
|
Ki |
= |
250.0 |
nM |
497.59 |
Cc1ccccc1-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(=O)O)c12 |
Homo sapiens |
CHEMBL4813625 |
single protein format |
CHEMBL4855114 |
OBDepict
CH
3
N
O
O
OH
|
Ki |
= |
300.0 |
nM |
511.62 |
CCc1ccccc1-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(=O)O)c12 |
Homo sapiens |
CHEMBL4813625 |
single protein format |
CHEMBL4870608 |
OBDepict
CH
3
N
O
O
OH
|
Ki |
= |
360.0 |
nM |
497.59 |
Cc1cccc(-c2cn(CCOc3cccc4ccccc34)c3cccc(-c4ccccc4C(=O)O)c23)c1 |
Homo sapiens |
CHEMBL4813625 |
single protein format |
CHEMBL51483 |
OBDepict
O
OH
OH
OH
CH
3
H
3
C
H
3
C
CH
3
OH
O
HO
H
3
C
CH
3
HO
|
Ki |
= |
460.0 |
nM |
518.56 |
Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |
Homo sapiens |
CHEMBL4813625 |
single protein format |
CHEMBL4860820 |
OBDepict
Cl
O
OH
N
O
|
Ki |
= |
490.0 |
nM |
455.94 |
O=C(O)c1ccc(Cl)cc1-c1cccc2c1ccn2CCCOc1cccc2ccccc12 |
Homo sapiens |
CHEMBL4813625 |
single protein format |
CHEMBL4852823 |
OBDepict
H
3
C
O
N
O
HO
|
Ki |
= |
530.0 |
nM |
483.57 |
COc1cccc(-c2cn(Cc3cccc4ccccc34)c3cccc(-c4ccccc4C(=O)O)c23)c1 |
Homo sapiens |
CHEMBL4813625 |
single protein format |
CHEMBL4864735 |
OBDepict
CH
3
N
O
O
OH
|
Ki |
= |
560.0 |
nM |
511.62 |
Cc1cccc(-c2cn(CCCOc3cccc4ccccc34)c3cccc(-c4ccccc4C(=O)O)c23)c1 |
Homo sapiens |
CHEMBL4813625 |
single protein format |
CHEMBL4870458 |
OBDepict
OH
O
N
CH
3
|
Ki |
= |
660.0 |
nM |
467.57 |
Cc1ccccc1-c1cn(Cc2cccc3ccccc23)c2cccc(-c3ccccc3C(=O)O)c12 |
Homo sapiens |
CHEMBL4813625 |
single protein format |
CHEMBL4846508 |
OBDepict
H
3
C
N
O
HO
|
Ki |
= |
800.0 |
nM |
467.57 |
Cc1ccc(-c2cn(Cc3cccc4ccccc34)c3cccc(-c4ccccc4C(=O)O)c23)cc1 |
Homo sapiens |
CHEMBL4813625 |
single protein format |
CHEMBL4856143 |
OBDepict
CH
3
O
N
O
O
OH
|
Ki |
= |
820.0 |
nM |
513.59 |
COc1ccccc1-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(=O)O)c12 |
Homo sapiens |
CHEMBL4813625 |
single protein format |
CHEMBL4870837 |
OBDepict
HO
O
N
|
Ki |
= |
820.0 |
nM |
453.54 |
O=C(O)c1ccccc1-c1cccc2c1c(-c1ccccc1)cn2Cc1cccc2ccccc12 |
Homo sapiens |
CHEMBL4813625 |
single protein format |
CHEMBL4876348 |
OBDepict
CH
3
N
O
O
OH
|
Ki |
= |
870.0 |
nM |
497.59 |
Cc1ccc(-c2cn(CCOc3cccc4ccccc34)c3cccc(-c4ccccc4C(=O)O)c23)cc1 |
Homo sapiens |
CHEMBL4813625 |
single protein format |
CHEMBL408194 |
OBDepict
CH
3
O
N
N
N
H
H
3
C
H
CH
3
|
Ki |
= |
1000.0 |
nM |
317.39 |
COC1=CC(c2cc3ccccc3[nH]2)=N/C1=Cc1[nH]c(C)cc1C |
Homo sapiens |
CHEMBL936491 |
single protein format |