molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4645901 |
|
IC50 |
= |
7.0 |
nM |
552.58 |
CNC(=O)c1csc([C@@H]2C[C@H](NC(=O)[C@@H]3CC(=O)N(C)C(=O)N3)CN2C(=O)c2ccc(-c3nn[nH]n3)cc2)n1 |
Homo sapiens |
CHEMBL4618909 |
cell-based format |
CHEMBL4642788 |
OBDepict
H
3
C
N
H
O
N
S
N
H
HN
O
O
H
N
H
O
N
O
N
N
H
3
C
N
N
H
|
IC50 |
= |
13.0 |
nM |
552.58 |
CNC(=O)c1csc(C2C[C@H](NC(=O)[C@@H]3CC(=O)N(C)C(=O)N3)CN2C(=O)c2ccc(-c3nn[nH]n3)cc2)n1 |
Homo sapiens |
CHEMBL4618909 |
cell-based format |
CHEMBL4642700 |
OBDepict
CH
3
N
S
H
N
H
N
H
O
O
H
NH
O
N
O
N
N
H
3
C
N
N
H
|
IC50 |
= |
13.0 |
nM |
509.55 |
Cc1csc([C@@H]2C[C@H](NC(=O)[C@@H]3CC(=O)N(C)C(=O)N3)CN2C(=O)c2ccc(-c3nn[nH]n3)cc2)n1 |
Homo sapiens |
CHEMBL4618909 |
cell-based format |
CHEMBL4639216 |
OBDepict
H
3
C
NH
O
N
O
H
N
H
HN
O
O
H
NH
O
N
O
N
N
H
3
C
N
N
H
|
IC50 |
= |
14.0 |
nM |
536.51 |
CNC(=O)c1coc([C@@H]2C[C@H](NC(=O)[C@@H]3CC(=O)N(C)C(=O)N3)CN2C(=O)c2ccc(-c3nn[nH]n3)cc2)n1 |
Homo sapiens |
CHEMBL4618909 |
cell-based format |
CHEMBL4644527 |
OBDepict
CH
3
N
H
O
N
S
H
N
H
HN
O
H
NH
O
N
O
N
N
H
3
C
N
N
H
|
IC50 |
= |
88.0 |
nM |
538.59 |
CNC(=O)c1csc([C@@H]2C[C@H](NC(=O)[C@@H]3CC(=O)N(C)C(=O)N3)CN2Cc2ccc(-c3nn[nH]n3)cc2)n1 |
Homo sapiens |
CHEMBL4618909 |
cell-based format |
CHEMBL4636177 |
OBDepict
H
3
C
N
S
H
N
H
N
H
O
O
H
HN
O
N
O
O
HO
CH
3
|
IC50 |
= |
170.0 |
nM |
485.52 |
Cc1csc([C@@H]2C[C@H](NC(=O)[C@@H]3CC(=O)N(C)C(=O)N3)CN2C(=O)c2ccc(C(=O)O)cc2)n1 |
Homo sapiens |
CHEMBL4618909 |
cell-based format |
CHEMBL4648534 |
OBDepict
H
3
C
NH
O
N
S
H
N
H
N
H
O
O
H
NH
N
N
O
N
O
N
N
H
3
C
H
|
IC50 |
= |
430.0 |
nM |
552.58 |
CNC(=O)c1csc([C@@H]2C[C@H](NC(=O)[C@@H]3CC(=O)N(C)C(=O)N3)CN2C(=O)c2cccc(-c3nn[nH]n3)c2)n1 |
Homo sapiens |
CHEMBL4618909 |
cell-based format |
CHEMBL4640907 |
OBDepict
H
3
C
N
S
H
N
H
N
H
O
O
H
HN
O
N
O
N
N
CH
3
N
H
|
IC50 |
= |
1000.0 |
nM |
508.56 |
Cc1csc([C@@H]2C[C@H](NC(=O)[C@@H]3CC(=O)N(C)C(=O)N3)CN2C(=O)c2ccc(-c3nnc[nH]3)cc2)n1 |
Homo sapiens |
CHEMBL4618909 |
cell-based format |