molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4459166 |
|
IC50 |
= |
70.0 |
nM |
486.57 |
[2H]C([2H])([2H])C1(NS(=O)(=O)c2ccc3c(c2)c(=O)n(Cc2cnn(C)c2)c(=O)n3Cc2ccn(C)n2)CC1 |
Homo sapiens |
CHEMBL4333012 |
cell-based format |
CHEMBL4438105 |
OBDepict
H
3
C
N
O
N
O
S
HN
O
O
F
N
N
H
3
C
|
IC50 |
= |
80.0 |
nM |
435.48 |
CCn1c(=O)n(Cc2cnn(C)c2)c(=O)c2cc(S(=O)(=O)NC3(CF)CC3)ccc21 |
Homo sapiens |
CHEMBL4333012 |
cell-based format |
CHEMBL4282082 |
OBDepict
H
3
C
N
O
N
O
S
HN
O
O
H
3
C
N
N
H
3
C
|
IC50 |
= |
80.0 |
nM |
417.49 |
CCn1c(=O)n(Cc2cnn(C)c2)c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc21 |
Homo sapiens |
CHEMBL4333012 |
cell-based format |
CHEMBL4518815 |
OBDepict
CH
3
N
N
N
O
O
N
S
N
HN
O
O
CH
3
N
H
3
C
|
IC50 |
= |
90.0 |
nM |
483.55 |
Cn1cc(Cn2c(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc3n(Cc3ccn(C)n3)c2=O)cn1 |
Homo sapiens |
CHEMBL4333012 |
cell-based format |
CHEMBL1230692 |
OBDepict
H
2
N
N
N
N
N
H
O
H
HO
H
H
OH
O
P
O
O
OH
P
O
O
OH
H
N
H
H
OH
H
HO
|
IC50 |
= |
120.0 |
nM |
542.34 |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2NC[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O |
Homo sapiens |
CHEMBL1814966 |
single protein format |
CHEMBL4459798 |
OBDepict
F
N
H
S
O
O
N
O
N
O
N
N
N
N
H
3
C
CH
3
|
IC50 |
= |
170.0 |
nM |
501.54 |
Cn1cc(Cn2c(=O)c3cc(S(=O)(=O)NC4(CF)CC4)ccc3n(Cc3ccn(C)n3)c2=O)cn1 |
Homo sapiens |
CHEMBL4333012 |
cell-based format |
CHEMBL4452307 |
OBDepict
F
HN
S
O
O
N
O
N
H
3
C
O
N
N
H
3
C
|
IC50 |
= |
290.0 |
nM |
421.45 |
Cn1cc(Cn2c(=O)c3cc(S(=O)(=O)NC4(CF)CC4)ccc3n(C)c2=O)cn1 |
Homo sapiens |
CHEMBL4333012 |
cell-based format |
CHEMBL4456850 |
OBDepict
CH
3
N
N
N
O
O
N
S
N
HN
O
O
F
F
N
H
3
C
|
IC50 |
= |
320.0 |
nM |
519.53 |
Cn1cc(Cn2c(=O)c3cc(S(=O)(=O)NC4(C(F)F)CC4)ccc3n(Cc3ccn(C)n3)c2=O)cn1 |
Homo sapiens |
CHEMBL4333011 |
cell-based format |
CHEMBL4283111 |
OBDepict
H
3
C
N
N
N
O
O
N
H
3
C
S
HN
O
O
H
3
C
|
IC50 |
= |
330.0 |
nM |
403.46 |
Cn1cc(Cn2c(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc3n(C)c2=O)cn1 |
Homo sapiens |
CHEMBL4333012 |
cell-based format |