molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL2046918 |
|
IC50 |
= |
16.0 |
nM |
525.84 |
CNc1nc2nc(-c3ccc(C(F)(F)P(=O)(O)O)cc3)n(CCOc3ccc(Cl)cc3)c2c(=O)[nH]1 |
Homo sapiens |
CHEMBL2051182 |
assay format |
CHEMBL1094973 |
OBDepict
H
N
NH
2
N
O
+
N
N
H
3
C
H
O
H
HO
H
H
HO
O
P
O
O
_
O
P
O
O
OH
P
O
OH
HO
|
Ki |
= |
28.0 |
nM |
537.21 |
C[n+]1cn([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21 |
Homo sapiens |
CHEMBL2051182 |
assay format |
CHEMBL2046906 |
OBDepict
Br
O
+
N
N
O
N
N
H
O
H
H
OH
H
2
N
H
H
HO
O
P
O
HO
_
O
|
IC50 |
= |
41.0 |
nM |
562.27 |
Nc1nc2c(c(=O)[nH]1)[n+](CCOc1ccc(Br)cc1)cn2[C@@H]1O[C@H](COP(=O)([O-])O)[C@@H](O)[C@H]1O |
Homo sapiens |
CHEMBL2051182 |
assay format |
CHEMBL2046915 |
OBDepict
Cl
O
+
N
N
O
N
N
H
O
H
H
O
H
2
N
H
H
O
O
H
3
C
H
3
C
P
O
HO
_
O
|
IC50 |
= |
51.0 |
nM |
557.88 |
CC1(C)O[C@@H]2[C@@H](COP(=O)([O-])O)O[C@@H](n3c[n+](CCOc4ccc(Cl)cc4)c4c(=O)[nH]c(N)nc43)[C@@H]2O1 |
Homo sapiens |
CHEMBL2051182 |
assay format |
CHEMBL2046910 |
OBDepict
F
Cl
O
+
N
N
O
N
N
H
O
H
H
OH
H
2
N
H
H
HO
O
P
O
HO
_
O
|
IC50 |
= |
56.0 |
nM |
535.81 |
Nc1nc2c(c(=O)[nH]1)[n+](CCOc1ccc(Cl)c(F)c1)cn2[C@@H]1O[C@H](COP(=O)([O-])O)[C@@H](O)[C@H]1O |
Homo sapiens |
CHEMBL2051182 |
assay format |
CHEMBL2046905 |
OBDepict
Cl
O
+
N
N
O
N
N
H
O
H
H
OH
H
2
N
H
H
HO
O
P
O
HO
_
O
|
IC50 |
= |
59.0 |
nM |
517.82 |
Nc1nc2c(c(=O)[nH]1)[n+](CCOc1ccc(Cl)cc1)cn2[C@@H]1O[C@H](COP(=O)([O-])O)[C@@H](O)[C@H]1O |
Homo sapiens |
CHEMBL2051182 |
assay format |
CHEMBL2046916 |
OBDepict
H
3
C
N
H
N
N
H
N
O
N
O
P
O
OH
OH
Cl
|
IC50 |
= |
95.0 |
nM |
475.83 |
CNc1nc2nc(-c3ccc(P(=O)(O)O)cc3)n(CCOc3ccc(Cl)cc3)c2c(=O)[nH]1 |
Homo sapiens |
CHEMBL2051182 |
assay format |
CHEMBL2046912 |
OBDepict
Cl
O
+
N
N
O
N
N
H
O
H
H
OH
H
2
N
H
H
HO
O
P
O
HO
_
O
|
IC50 |
= |
117.0 |
nM |
527.81 |
Nc1nc2c(c(=O)[nH]1)[n+](Cc1cc3cc(Cl)ccc3o1)cn2[C@@H]1O[C@H](COP(=O)([O-])O)[C@@H](O)[C@H]1O |
Homo sapiens |
CHEMBL2051182 |
assay format |
CHEMBL2046908 |
OBDepict
N
O
+
N
N
O
N
N
H
O
H
H
OH
NH
2
H
H
HO
O
P
O
HO
_
O
|
IC50 |
= |
125.0 |
nM |
508.38 |
N#Cc1ccc(OCC[n+]2cn([C@@H]3O[C@H](COP(=O)([O-])O)[C@@H](O)[C@H]3O)c3nc(N)[nH]c(=O)c32)cc1 |
Homo sapiens |
CHEMBL2051182 |
assay format |
CHEMBL2046917 |
OBDepict
CH
3
N
H
N
N
H
N
O
N
O
P
O
OH
HO
Cl
|
IC50 |
= |
160.0 |
nM |
489.86 |
CNc1nc2nc(-c3ccc(CP(=O)(O)O)cc3)n(CCOc3ccc(Cl)cc3)c2c(=O)[nH]1 |
Homo sapiens |
CHEMBL2051182 |
assay format |
CHEMBL3659374 |
OBDepict
HO
O
S
N
+
N
O
_
O
Cl
Cl
|
IC50 |
= |
500.0 |
nM |
471.32 |
O=C(O)c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccccc1[N+](=O)[O-] |
Homo sapiens |
CHEMBL3705829 |
assay format |
CHEMBL3659444 |
OBDepict
HO
O
S
N
Cl
O
F
F
F
Cl
Cl
|
IC50 |
= |
600.0 |
nM |
544.77 |
O=C(O)c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1cc(OC(F)(F)F)ccc1Cl |
Homo sapiens |
CHEMBL3705829 |
assay format |
CHEMBL3663619 |
OBDepict
OH
O
S
N
Cl
F
CH
3
Cl
Cl
|
IC50 |
= |
700.0 |
nM |
492.79 |
Cc1ccc(Cl)c(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C(=O)O)c1F |
Homo sapiens |
CHEMBL3705829 |
assay format |
CHEMBL3663603 |
OBDepict
F
F
F
F
O
OH
S
N
Cl
Cl
|
IC50 |
= |
800.0 |
nM |
512.31 |
O=C(O)c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(F)cc1C(F)(F)F |
Homo sapiens |
CHEMBL3705829 |
assay format |
CHEMBL3659436 |
OBDepict
OH
O
S
N
N
H
O
Cl
CH
3
Cl
|
IC50 |
= |
970.0 |
nM |
573.5 |
CC(NC(=O)c1ccc(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C(=O)O)cc1)c1ccccc1 |
Homo sapiens |
CHEMBL3705829 |
assay format |