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Target
Cytochrome P450 2C9
Ligand
BDBM50188049
Substrate
n/a
Meas. Tech.
ChEMBL_379076 (CHEMBL864246)
IC50
23000±n/a nM
Citation
 Fray, MJ; Bish, G; Fish, PV; Stobie, A; Wakenhut, F; Whitlock, GA Structure-activity relationships of N-substituted piperazine amine reuptake inhibitors. Bioorg Med Chem Lett 16:4349-53 (2006) [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:
BDBM50188049
Synonyms:
1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | CHEMBL213287 | CHEMBL534942
Type:
Small organic molecule
Emp. Form.:
C18H21ClN2
Mol. Mass.:
300.826
SMILES:
Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Structure:
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