molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4471843 |
|
IC50 |
= |
30.0 |
nM |
257.27 |
O=C1NC(=O)c2cc(-c3ccccc3)sc2C1=O |
Homo sapiens |
CHEMBL4434552 |
assay format |
CHEMBL4445621 |
OBDepict
O
HN
NH
O
S
|
IC50 |
= |
35.0 |
nM |
256.29 |
N=C1C(=O)NC(=O)c2cc(-c3ccccc3)sc21 |
Homo sapiens |
CHEMBL4434552 |
assay format |
CHEMBL4862502 |
OBDepict
O
N
H
O
N
H
O
S
O
NH
NH
O
|
IC50 |
= |
206.0 |
nM |
562.69 |
N=C1C(=O)NC(=O)c2cc(-c3ccc(OCC(=O)NCCCNC(=O)CC45CC6CC(CC(C6)C4)C5)cc3)sc21 |
Homo sapiens |
CHEMBL4823015 |
single protein format |
CHEMBL3393171 |
OBDepict
NH
2
N
S
H
O
|
IC50 |
= |
240.0 |
nM |
242.3 |
Nc1c[nH]c(=O)c2cc(-c3ccccc3)sc12 |
Homo sapiens |
CHEMBL3395080 |
single protein format |
CHEMBL55 |
OBDepict
NH
2
NH
O
O
NH
NH
2
|
IC50 |
= |
300.0 |
nM |
340.43 |
N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 |
Homo sapiens |
CHEMBL4434547 |
single protein format |
CHEMBL2397162 |
OBDepict
H
3
C
O
O
S
O
N
H
S
|
IC50 |
= |
800.0 |
nM |
383.49 |
COc1ccccc1COc1ccccc1/C=C/C=C1SC(=S)NC1=O |
Homo sapiens |
CHEMBL2400558 |
single protein format |
CHEMBL207428 |
OBDepict
S
S
NH
O
O
S
|
IC50 |
= |
900.0 |
nM |
459.62 |
O=C1NC(=S)S/C1=Cc1cc(-c2csc3ccccc23)ccc1OCc1ccccc1 |
Homo sapiens |
CHEMBL871238 |
single protein format |
CHEMBL207958 |
OBDepict
S
HN
S
O
O
Br
Br
|
IC50 |
= |
900.0 |
nM |
485.22 |
O=C1NC(=S)S/C1=Cc1cc(Br)ccc1OCc1ccccc1Br |
Homo sapiens |
CHEMBL871238 |
single protein format |