Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50525866
Substrate
n/a
Meas. Tech.
ChEMBL_1898344 (CHEMBL4400379)
IC50
>18000±n/a nM
Citation
 Meng, W; Adam, LP; Behnia, K; Zhao, L; Yang, R; Kopcho, LM; Locke, GA; Taylor, DS; Yin, X; Wexler, RR; Finlay, H Benzothiazole-based compounds as potent endothelial lipase inhibitors. Bioorg Med Chem Lett 29:0 (2019) [PubMed]  Article 
Target
Name:
Cytochrome P450 2C9
Synonyms:
(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CP2C9_HUMAN | CYP2C10 | CYP2C9 | CYPIIC9 | Cytochrome P450 2C9 (CYP2C9 ) | Cytochrome P450 2C9 (CYP2C9) | P-450MP | P450 MP-4/MP-8 | P450 PB-1 | S-mephenytoin 4-hydroxylase
Type:
Enzyme
Mol. Mass.:
55636.33
Organism:
Homo sapiens (Human)
Description:
P11712
Residue:
490
Sequence:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50525866
Synonyms:
CHEMBL4438345
Type:
Small organic molecule
Emp. Form.:
C27H28N6O3S
Mol. Mass.:
516.615
SMILES:
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2nc(sc2c1)C(C#N)C(=O)NCC(=O)NC1CC1
Structure:
Search PDB for entries with ligand similarity: