molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL2086889 |
|
IC50 |
= |
18.0 |
nM |
313.32 |
CCn1nc(-c2ccc(OC)cc2)nc2c(=O)n(C)c(=O)nc1-2 |
Homo sapiens |
CHEMBL2091158 |
single protein format |
CHEMBL193220 |
OBDepict
_
O
3+
Cl
_
O
_
O
_
O
CH
3
O
S
N
S
+
N
S
H
3
C
|
IC50 |
= |
250.0 |
nM |
344.82 |
CC(=O)CSc1n[n+]2c(C)csc2s1.[O-][Cl+3]([O-])([O-])[O-] |
Homo sapiens |
CHEMBL827899 |
assay format |
CHEMBL2152090 |
OBDepict
CH
2
HN
O
N
S
O
O
N
H
O
O
|
IC50 |
= |
910.0 |
nM |
443.53 |
C=CC(=O)NC1CCN(S(=O)(=O)c2ccc(NC(=O)OCc3ccccc3)cc2)CC1 |
Homo sapiens |
CHEMBL2155210 |
single protein format |
CHEMBL2086891 |
OBDepict
H
2
C
N
H
O
Cl
S
N
O
O
N
O
O
H
3
C
H
3
C
CH
3
|
IC50 |
= |
950.0 |
nM |
429.93 |
C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1 |
Homo sapiens |
CHEMBL2091158 |
single protein format |