molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4859660 |
|
IC50 |
= |
-84500.0 |
nM |
378.36 |
Nc1ncc(-c2cccc([N+](=O)[O-])c2F)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804457 |
cell-based format |
CHEMBL4855542 |
OBDepict
NH
2
N
S
N
O
NH
|
IC50 |
= |
-17400.0 |
nM |
372.45 |
Nc1ncc(-c2cccc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804457 |
cell-based format |
CHEMBL4860979 |
OBDepict
F
S
N
O
O
CH
3
N
H
2
N
O
N
H
|
IC50 |
= |
-14400.0 |
nM |
466.54 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)c(F)c1 |
Homo sapiens |
CHEMBL4804457 |
cell-based format |
CHEMBL388978 |
OBDepict
CH
3
HN
H
H
O
H
O
N
H
3
C
H
3
C
N
O
N
H
|
IC50 |
= |
2.35 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328540 |
single protein format |
CHEMBL426445 |
OBDepict
OH
O
N
N
S
S
|
IC50 |
= |
40.0 |
nM |
388.47 |
O=C(O)c1ccc2cc3nc(-c4cccs4)c(-c4cccs4)nc3cc2c1 |
Homo sapiens |
CHEMBL830066 |
single protein format |
CHEMBL192909 |
OBDepict
HO
O
S
N
N
S
O
OH
|
IC50 |
= |
640.0 |
nM |
460.54 |
O=C(O)Cc1csc(-c2nc3cc4ccccc4cc3nc2-c2cc(CC(=O)O)cs2)c1 |
Homo sapiens |
CHEMBL830066 |
single protein format |
CHEMBL190057 |
OBDepict
HO
O
S
N
N
S
O
OH
|
IC50 |
= |
820.0 |
nM |
516.64 |
O=C(O)CCCc1ccc(-c2nc3cc4ccccc4cc3nc2-c2ccc(CCCC(=O)O)s2)s1 |
Homo sapiens |
CHEMBL830066 |
single protein format |
CHEMBL366201 |
OBDepict
HO
O
S
N
N
S
O
HO
|
IC50 |
= |
870.0 |
nM |
488.59 |
O=C(O)CCc1ccc(-c2nc3cc4ccccc4cc3nc2-c2ccc(CCC(=O)O)s2)s1 |
Homo sapiens |
CHEMBL830066 |
single protein format |
CHEMBL193232 |
OBDepict
OH
O
O
O
N
N
S
S
|
IC50 |
= |
950.0 |
nM |
396.45 |
O=C(O)C1COc2cc3nc(-c4cccs4)c(-c4cccs4)nc3cc2O1 |
Homo sapiens |
CHEMBL830066 |
single protein format |