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Target
Cytochrome P450 2C9
Ligand
BDBM50220232
Substrate
n/a
Meas. Tech.
ChEMBL_449181 (CHEMBL899446)
IC50
24500±n/a nM
Citation
 Hamblett, CL; Methot, JL; Mampreian, DM; Sloman, DL; Stanton, MG; Kral, AM; Fleming, JC; Cruz, JC; Chenard, M; Ozerova, N; Hitz, AM; Wang, H; Deshmukh, SV; Nazef, N; Harsch, A; Hughes, B; Dahlberg, WK; Szewczak, AA; Middleton, RE; Mosley, RT; Secrist, JP; Miller, TA The discovery of 6-amino nicotinamides as potent and selective histone deacetylase inhibitors. Bioorg Med Chem Lett 17:5300-9 (2007) [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:
BDBM50220232
Synonyms:
(S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2-methylpiperazine-1-carboxylate | (S)-benzyl 4-(5-(2-aminophenylcarbamoyl)pyridin-2-yl)-2-methylpiperazine-1-carboxylate | CHEMBL236902
Type:
Small organic molecule
Emp. Form.:
C25H27N5O3
Mol. Mass.:
445.5136
SMILES:
C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r|
Structure:
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