molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4452711 |
|
IC50 |
= |
240.0 |
nM |
497.39 |
O=C(Nc1ccncc1)c1cn(Cc2ccc(Cl)c(Cl)c2)c(=O)c2cnn(C3CCNCC3)c12 |
Homo sapiens |
CHEMBL4401535 |
assay format |
CHEMBL4461540 |
OBDepict
O
NH
N
N
N
O
N
S
O
O
Cl
Cl
|
IC50 |
= |
330.0 |
nM |
532.41 |
O=C(Nc1ccncc1)c1cn(Cc2ccc(Cl)c(Cl)c2)c(=O)c2cnn(C3CCS(=O)(=O)C3)c12 |
Homo sapiens |
CHEMBL4401535 |
assay format |
CHEMBL1188627 |
OBDepict
CH
3
N
N
S
N
|
IC50 |
= |
500.0 |
nM |
267.36 |
C/N=c1/nc(-c2ccccc2)n(-c2ccccc2)s1 |
Homo sapiens |
CHEMBL4482465 |
assay format |
CHEMBL3559101 |
OBDepict
CH
3
HN
N
S
+
N
|
IC50 |
= |
500.0 |
nM |
268.37 |
CNc1nc(-c2ccccc2)[n+](-c2ccccc2)s1 |
Homo sapiens |
CHEMBL4482465 |
assay format |
CHEMBL4574198 |
OBDepict
H
3
C
N
N
N
H
O
N
O
N
N
Cl
Cl
|
IC50 |
= |
510.0 |
nM |
511.41 |
Cn1cc(NC(=O)c2cn(Cc3ccc(Cl)c(Cl)c3)c(=O)c3cnc(N4CCCCC4)cc23)cn1 |
Homo sapiens |
CHEMBL4401535 |
assay format |
CHEMBL3235902 |
OBDepict
H
N
N
N
S
OH
HN
S
O
O
CH
3
H
3
C
H
3
C
|
IC50 |
= |
539.0 |
nM |
440.55 |
Cc1cc(C)c(S(=O)(=O)Nc2cc(Sc3nc[nH]n3)c(O)c3ccccc23)cc1C |
Homo sapiens |
CHEMBL4482465 |
assay format |
CHEMBL4559691 |
OBDepict
H
3
C
N
N
N
H
O
N
O
N
N
Cl
HN
Cl
|
IC50 |
= |
630.0 |
nM |
512.4 |
Cn1cc(NC(=O)c2cn(Cc3ccc(Cl)c(Cl)c3)c(=O)c3cnc(N4CCNCC4)cc23)cn1 |
Homo sapiens |
CHEMBL4401535 |
assay format |
CHEMBL4566108 |
OBDepict
CH
3
N
N
HN
O
N
N
N
O
S
O
O
Cl
Cl
|
IC50 |
= |
630.0 |
nM |
535.41 |
Cn1cc(NC(=O)c2cn(Cc3ccc(Cl)c(Cl)c3)c(=O)c3cnn(C4CCS(=O)(=O)C4)c23)cn1 |
Homo sapiens |
CHEMBL4401535 |
assay format |
CHEMBL4539339 |
OBDepict
Cl
S
N
HN
S
O
O
Cl
+
N
O
_
O
|
IC50 |
= |
652.0 |
nM |
404.26 |
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)c1 |
Homo sapiens |
CHEMBL4482465 |
assay format |
CHEMBL4526942 |
OBDepict
CH
3
S
H
3
C
NH
O
O
S
HO
N
N
N
H
|
IC50 |
= |
683.0 |
nM |
426.52 |
Cc1ccc(C)c(S(=O)(=O)Nc2cc(Sc3nc[nH]n3)c(O)c3ccccc23)c1 |
Homo sapiens |
CHEMBL4482465 |
assay format |
CHEMBL4440859 |
OBDepict
Cl
Cl
N
N
O
N
N
S
O
O
|
IC50 |
= |
734.0 |
nM |
413.29 |
O=c1c2cnn(C3CCS(=O)(=O)C3)c2ncn1Cc1ccc(Cl)c(Cl)c1 |
Homo sapiens |
CHEMBL4482465 |
assay format |
CHEMBL1540929 |
OBDepict
CH
3
O
S
NH
O
O
S
HO
N
N
N
H
|
IC50 |
= |
807.0 |
nM |
428.5 |
COc1ccc(S(=O)(=O)Nc2cc(Sc3nc[nH]n3)c(O)c3ccccc23)cc1 |
Homo sapiens |
CHEMBL4482465 |
assay format |
CHEMBL4524644 |
OBDepict
CH
3
S
NH
O
O
S
HO
N
N
N
H
|
IC50 |
= |
890.0 |
nM |
426.52 |
CCc1ccc(S(=O)(=O)Nc2cc(Sc3nc[nH]n3)c(O)c3ccccc23)cc1 |
Homo sapiens |
CHEMBL4482465 |
assay format |