molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL340082 |
|
IC50 |
= |
1.6 |
nM |
577.68 |
CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)[C@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL708592 |
single protein format |
CHEMBL421500 |
OBDepict
CH
3
CH
3
NH
2
H
HN
O
S
O
O
NH
O
O
HO
H
HO
H
N
H
CH
3
O
H
2
N
|
IC50 |
= |
16.0 |
nM |
489.55 |
CC(C)C[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@@]1(C(=O)O)[C@@H](O)C[C@H]2C(C(N)=O)=CN(C)C[C@H]21 |
Homo sapiens |
CHEMBL708594 |
single protein format |
CHEMBL1163081 |
OBDepict
CH
3
H
3
C
NH
2
H
HN
O
S
O
O
O
H
O
H
OH
H
N
H
HO
N
N
N
H
2
N
|
IC50 |
= |
22.34 |
nM |
459.49 |
CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL4681668 |
single protein format |
CHEMBL4174152 |
OBDepict
CH
3
H
3
C
NH
2
H
HN
O
S
O
O
N
NH
2
N
|
IC50 |
= |
33.0 |
nM |
439.54 |
CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(-c2cc(-c3ccccc3)nc(N)n2)c1 |
Homo sapiens |
CHEMBL4144832 |
single protein format |
CHEMBL4558130 |
OBDepict
NH
2
N
N
N
N
H
O
H
OH
H
H
HO
O
S
N
H
O
O
O
OH
H
HO
H
CH
3
H
3
C
|
IC50 |
= |
70.04 |
nM |
476.47 |
CC(C)[C@@H](O)[C@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL4681668 |
single protein format |
CHEMBL4163450 |
OBDepict
CH
3
H
3
C
H
2
N
H
N
H
O
S
O
O
N
CH
3
N
NH
2
|
IC50 |
= |
160.0 |
nM |
377.47 |
Cc1cc(-c2cccc(S(=O)(=O)NC(=O)[C@@H](N)CC(C)C)c2)nc(N)n1 |
Homo sapiens |
CHEMBL4144832 |
single protein format |
CHEMBL4171458 |
OBDepict
CH
3
H
3
C
NH
2
H
HN
O
S
O
O
|
IC50 |
= |
220.0 |
nM |
320.41 |
CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |
Homo sapiens |
CHEMBL4144832 |
single protein format |
CHEMBL4104169 |
OBDepict
CH
3
H
3
C
OH
H
HN
O
S
O
O
O
H
O
H
OH
H
N
H
HO
N
N
I
N
H
2
N
|
IC50 |
= |
337.1 |
nM |
586.37 |
CC(C)C[C@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)nc(I)nc32)[C@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL4681668 |
single protein format |
CHEMBL4172643 |
OBDepict
CH
3
H
3
C
NH
2
H
HN
O
S
O
O
N
NH
2
|
IC50 |
= |
490.0 |
nM |
362.46 |
CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(-c2ccnc(N)c2)c1 |
Homo sapiens |
CHEMBL4144832 |
single protein format |
CHEMBL332104 |
OBDepict
H
3
C
CH
3
NH
2
H
HN
O
S
O
O
O
H
O
H
OH
H
H
HO
S
N
|
IC50 |
= |
730.0 |
nM |
513.64 |
CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](c2nc(CCc3ccccc3)cs2)[C@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL708598 |
single protein format |
CHEMBL4159778 |
OBDepict
CH
3
H
3
C
NH
2
H
HN
O
S
O
O
N
NH
2
|
IC50 |
= |
850.0 |
nM |
362.46 |
CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(-c2cccc(N)n2)c1 |
Homo sapiens |
CHEMBL4144832 |
single protein format |
CHEMBL264002 |
OBDepict
CH
3
H
3
C
H
NH
2
H
HN
O
S
O
O
O
H
O
H
OH
H
H
HO
S
N
|
IC50 |
= |
1000.0 |
nM |
485.58 |
CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](c2nc(-c3ccccc3)cs2)[C@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL708592 |
single protein format |