Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50448448
Substrate
n/a
Meas. Tech.
ChEMBL_1295531 (CHEMBL3131723)
IC50
>20000±n/a nM
Citation
 Miller, JF; Chong, PY; Shotwell, JB; Catalano, JG; Tai, VW; Fang, J; Banka, AL; Roberts, CD; Youngman, M; Zhang, H; Xiong, Z; Mathis, A; Pouliot, JJ; Hamatake, RK; Price, DJ; Seal, JW; Stroup, LL; Creech, KL; Carballo, LH; Todd, D; Spaltenstein, A; Furst, S; Hong, Z; Peat, AJ Hepatitis C replication inhibitors that target the viral NS4B protein. J Med Chem 57:2107-20 (2014) [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:
BDBM50448448
Synonyms:
CHEMBL3125655
Type:
Small organic molecule
Emp. Form.:
C22H22ClF3N4O3
Mol. Mass.:
482.883
SMILES:
O[C@H]1[C@H]2C[C@H]2C[C@@H]1N1CCN(CC1=O)C(=O)c1nn2c(cc(cc2c1Cl)C1CC1)C(F)(F)F |r|
Structure:
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