molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4176393 |
|
IC50 |
= |
190.0 |
nM |
557.44 |
N#Cc1cccc(-c2cc(C(=O)N3CCN(C(=O)c4ccc(Cl)cc4)C(c4ccc(Cl)cc4)C3)c[nH]c2=O)c1 |
Homo sapiens |
CHEMBL4140796 |
assay format |
CHEMBL4073833 |
OBDepict
N
N
N
CH
3
N
O
N
H
O
Cl
Br
|
IC50 |
= |
260.0 |
nM |
588.89 |
Cc1c(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)[C@@H](c3ccc(Cl)cc3)C2)cnn1-c1cccc(C#N)c1 |
Homo sapiens |
CHEMBL4051066 |
assay format |
CHEMBL4173010 |
OBDepict
Cl
H
N
N
O
O
N
H
Br
O
|
IC50 |
= |
290.0 |
nM |
550.84 |
O=C(c1c[nH]c(=O)c2ccccc12)N1CCN(C(=O)c2ccc(Br)cc2)[C@@H](c2ccc(Cl)cc2)C1 |
Homo sapiens |
CHEMBL4140796 |
assay format |
CHEMBL4172770 |
OBDepict
Cl
N
N
O
O
N
H
Cl
O
Cl
|
IC50 |
= |
290.0 |
nM |
566.87 |
O=C(c1c[nH]c(=O)c(-c2cccc(Cl)c2)c1)N1CCN(C(=O)c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)C1 |
Homo sapiens |
CHEMBL4140796 |
assay format |
CHEMBL4104965 |
OBDepict
N
N
O
N
O
N
O
Cl
Br
|
IC50 |
= |
360.0 |
nM |
575.85 |
N#Cc1cccc(-c2ncc(C(=O)N3CCN(C(=O)c4ccc(Br)cc4)C(c4ccc(Cl)cc4)C3)o2)c1 |
Homo sapiens |
CHEMBL4051066 |
assay format |
CHEMBL4080736 |
OBDepict
N
N
N
O
N
O
N
O
Cl
Br
|
IC50 |
= |
390.0 |
nM |
576.84 |
N#Cc1ccnc(-c2ncc(C(=O)N3CCN(C(=O)c4ccc(Br)cc4)C(c4ccc(Cl)cc4)C3)o2)c1 |
Homo sapiens |
CHEMBL4051066 |
assay format |
CHEMBL4169616 |
OBDepict
Cl
N
N
O
O
N
H
Cl
O
|
IC50 |
= |
410.0 |
nM |
532.43 |
O=C(c1c[nH]c(=O)c(-c2ccccc2)c1)N1CCN(C(=O)c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)C1 |
Homo sapiens |
CHEMBL4140796 |
assay format |
CHEMBL4164548 |
OBDepict
Cl
N
N
O
O
N
H
Cl
O
Cl
|
IC50 |
= |
420.0 |
nM |
566.87 |
O=C(c1c[nH]c(=O)c(-c2ccccc2Cl)c1)N1CCN(C(=O)c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)C1 |
Homo sapiens |
CHEMBL4140796 |
assay format |
CHEMBL4070102 |
OBDepict
CH
3
CH
3
F
Cl
N
H
O
HO
|
Ki |
= |
430.0 |
nM |
255.68 |
CC(C)c1cc(Cl)c2cc(C(=O)O)[nH]c2c1F |
Homo sapiens |
CHEMBL4007301 |
assay format |
CHEMBL4097260 |
OBDepict
N
N
N
CH
3
N
O
N
O
Cl
Br
|
IC50 |
= |
580.0 |
nM |
588.89 |
Cc1c(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)C(c3ccc(Cl)cc3)C2)cnn1-c1cccc(C#N)c1 |
Homo sapiens |
CHEMBL4051066 |
assay format |
CHEMBL4087208 |
OBDepict
N
N
O
N
O
N
O
Cl
Cl
|
IC50 |
= |
600.0 |
nM |
531.4 |
N#Cc1cccc(-c2ncc(C(=O)N3CCN(C(=O)c4ccc(Cl)cc4)C(c4ccc(Cl)cc4)C3)o2)c1 |
Homo sapiens |
CHEMBL4051066 |
assay format |
CHEMBL4070582 |
OBDepict
Cl
N
N
O
O
O
N
Br
|
IC50 |
= |
660.0 |
nM |
550.84 |
O=C(c1cnc(-c2ccccc2)o1)N1CCN(C(=O)c2ccc(Br)cc2)C(c2ccc(Cl)cc2)C1 |
Homo sapiens |
CHEMBL4051066 |
assay format |
CHEMBL4092418 |
OBDepict
Cl
N
N
O
O
N
N
Cl
Br
|
IC50 |
= |
720.0 |
nM |
558.26 |
O=C(c1cnn2cc(Br)ccc12)N1CCN(C(=O)c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)C1 |
Homo sapiens |
CHEMBL4051066 |
assay format |
CHEMBL4071622 |
OBDepict
Cl
N
N
O
O
N
N
Cl
Br
|
IC50 |
= |
830.0 |
nM |
558.26 |
O=C(c1cnn2ccc(Br)cc12)N1CCN(C(=O)c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)C1 |
Homo sapiens |
CHEMBL4051066 |
assay format |
CHEMBL4088472 |
OBDepict
H
3
C
O
N
N
N
O
N
O
Cl
Br
|
IC50 |
= |
920.0 |
nM |
553.84 |
COc1ccc2c(C(=O)N3CCN(C(=O)c4ccc(Br)cc4)C(c4ccc(Cl)cc4)C3)cnn2c1 |
Homo sapiens |
CHEMBL4051066 |
assay format |
CHEMBL4070102 |
OBDepict
CH
3
CH
3
F
Cl
N
H
O
HO
|
IC50 |
= |
970.0 |
nM |
255.68 |
CC(C)c1cc(Cl)c2cc(C(=O)O)[nH]c2c1F |
Homo sapiens |
CHEMBL4007297 |
assay format |