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Target
Cytochrome P450 2C9
Ligand
BDBM50172462
Substrate
n/a
Meas. Tech.
ChEMBL_322412 (CHEMBL871888)
IC50
20000±n/a nM
Citation
 Peretto, I; Radaelli, S; Parini, C; Zandi, M; Raveglia, LF; Dondio, G; Fontanella, L; Misiano, P; Bigogno, C; Rizzi, A; Riccardi, B; Biscaioli, M; Marchetti, S; Puccini, P; Catinella, S; Rondelli, I; Cenacchi, V; Bolzoni, PT; Caruso, P; Villetti, G; Facchinetti, F; Del Giudice, E; Moretto, N; Imbimbo, BP Synthesis and biological activity of flurbiprofen analogues as selective inhibitors of beta-amyloid(1)(-)(42) secretion. J Med Chem 48:5705-20 (2005) [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:
BDBM50172462
Synonyms:
1-[2-Fluoro-4'-(4-trifluoromethyl-cyclohexyloxy)-biphenyl-4-yl]-cyclopropanecarboxylic acid | CHEMBL436483
Type:
Small organic molecule
Emp. Form.:
C23H22F4O3
Mol. Mass.:
422.4126
SMILES:
OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(OC2CCC(CC2)C(F)(F)F)cc1 |(5.41,-14.61,;4.08,-15.38,;4.08,-16.92,;2.74,-14.63,;1.31,-14.05,;2.4,-12.96,;1.41,-15.41,;.08,-14.64,;-1.25,-15.41,;-1.25,-16.95,;.08,-17.72,;.08,-19.26,;1.41,-16.95,;-2.59,-17.72,;-2.58,-19.26,;-3.91,-20.03,;-5.25,-19.26,;-6.6,-20.03,;-7.93,-19.26,;-7.93,-17.72,;-9.26,-16.95,;-10.59,-17.72,;-10.59,-19.26,;-9.26,-20.03,;-11.92,-16.94,;-13.12,-16.22,;-12.16,-15.34,;-13.42,-17.51,;-5.25,-17.72,;-3.92,-16.95,)|
Structure:
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