molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4128926 |
|
IC50 |
= |
0.19 |
nM |
583.78 |
CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 |
Homo sapiens |
CHEMBL4121479 |
single protein format |
CHEMBL1922007 |
OBDepict
CH
3
O
N
H
N
N
NH
N
O
F
F
F
|
IC50 |
= |
330.0 |
nM |
459.47 |
COc1ccc(Nc2nc(Nc3ccc(OC(F)(F)F)cc3)cc(N3CCCCC3)n2)cc1 |
Homo sapiens |
CHEMBL1924415 |
single protein format |
CHEMBL1922006 |
OBDepict
CH
3
O
N
H
N
N
NH
N
O
F
F
F
|
IC50 |
= |
380.0 |
nM |
459.47 |
COc1ccc(Nc2nc(Nc3cccc(OC(F)(F)F)c3)cc(N3CCCCC3)n2)cc1 |
Homo sapiens |
CHEMBL1924415 |
single protein format |
CHEMBL1922013 |
OBDepict
CH
3
O
N
H
N
N
NH
N
CH
3
F
|
IC50 |
= |
380.0 |
nM |
407.49 |
COc1ccc(Nc2nc(Nc3cccc(F)c3C)cc(N3CCCCC3)n2)cc1 |
Homo sapiens |
CHEMBL1924415 |
single protein format |
CHEMBL1922010 |
OBDepict
CH
3
O
N
H
N
N
NH
N
F
O
H
3
C
|
IC50 |
= |
430.0 |
nM |
423.49 |
COc1ccc(Nc2nc(Nc3ccc(OC)c(F)c3)cc(N3CCCCC3)n2)cc1 |
Homo sapiens |
CHEMBL1924415 |
single protein format |
CHEMBL1922005 |
OBDepict
CH
3
O
N
H
N
N
NH
N
CH
3
CH
3
|
IC50 |
= |
440.0 |
nM |
403.53 |
COc1ccc(Nc2nc(Nc3cc(C)ccc3C)cc(N3CCCCC3)n2)cc1 |
Homo sapiens |
CHEMBL1924415 |
single protein format |
CHEMBL1922009 |
OBDepict
CH
3
O
N
H
N
N
NH
N
O
F
F
|
IC50 |
= |
540.0 |
nM |
441.48 |
COc1ccc(Nc2nc(Nc3cccc(OC(F)F)c3)cc(N3CCCCC3)n2)cc1 |
Homo sapiens |
CHEMBL1924415 |
single protein format |
CHEMBL1921999 |
OBDepict
CH
3
O
N
H
N
N
NH
N
H
O
F
F
F
|
IC50 |
= |
550.0 |
nM |
473.5 |
COc1ccc(Nc2cc(Nc3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)cc1 |
Homo sapiens |
CHEMBL1924415 |
single protein format |
CHEMBL1922003 |
OBDepict
CH
3
NH
F
N
N
N
N
N
N
F
F
F
|
IC50 |
= |
560.0 |
nM |
529.59 |
Cc1c(F)cccc1Nc1cc(N2CCCCC2)nc(N2CCCN(c3ncccc3C(F)(F)F)CC2)n1 |
Homo sapiens |
CHEMBL1924415 |
single protein format |
CHEMBL1922016 |
OBDepict
CH
3
O
N
H
N
N
NH
N
F
O
H
3
C
|
IC50 |
= |
770.0 |
nM |
437.52 |
COc1ccc(Nc2nc(Nc3ccc(OC)c(F)c3)cc(N3CCCCCC3)n2)cc1 |
Homo sapiens |
CHEMBL1924415 |
single protein format |
CHEMBL1921996 |
OBDepict
CH
3
O
N
H
N
NH
N
N
H
O
F
F
|
IC50 |
= |
770.0 |
nM |
455.51 |
COc1ccc(Nc2cc(Nc3cccc(OC(F)F)c3)nc(NC3CCCCC3)n2)cc1 |
Homo sapiens |
CHEMBL1924415 |
single protein format |
CHEMBL1922008 |
OBDepict
CH
3
O
N
H
N
N
NH
N
F
F
F
|
IC50 |
= |
780.0 |
nM |
443.47 |
COc1ccc(Nc2nc(Nc3ccc(C(F)(F)F)cc3)cc(N3CCCCC3)n2)cc1 |
Homo sapiens |
CHEMBL1924415 |
single protein format |
CHEMBL1921993 |
OBDepict
CH
3
O
N
H
N
NH
N
N
O
H
3
C
|
IC50 |
= |
930.0 |
nM |
391.48 |
COc1ccc(Nc2cc(Nc3cccc(OC)c3)nc(N3CCCC3)n2)cc1 |
Homo sapiens |
CHEMBL1924415 |
single protein format |
CHEMBL1922012 |
OBDepict
CH
3
O
N
H
N
N
NH
N
CH
3
F
|
IC50 |
= |
980.0 |
nM |
407.49 |
COc1ccc(Nc2nc(Nc3ccc(F)cc3C)cc(N3CCCCC3)n2)cc1 |
Homo sapiens |
CHEMBL1924415 |
single protein format |