Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50304987
Substrate
n/a
Meas. Tech.
ChEMBL_606892 (CHEMBL1072635)
IC50
3000±n/a nM
Citation
 Kallander, LS; Washburn, DG; Hoang, TH; Frazee, JS; Stoy, P; Johnson, L; Lu, Q; Hammond, M; Barton, LS; Patterson, JR; Azzarano, LM; Nagilla, R; Madauss, KP; Williams, SP; Stewart, EL; Duraiswami, C; Grygielko, ET; Xu, X; Laping, NJ; Bray, JD; Thompson, SK Improving the developability profile of pyrrolidine progesterone receptor partial agonists. Bioorg Med Chem Lett 20:371-4 (2010) [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:
BDBM50304987
Synonyms:
(S)-4-((2-bromobenzyl)(1-propionylpyrrolidin-3-yl)amino)-2-chlorobenzonitrile | CHEMBL607030
Type:
Small organic molecule
Emp. Form.:
C21H21BrClN3O
Mol. Mass.:
446.768
SMILES:
CCC(=O)N1CC[C@@H](C1)N(Cc1ccccc1Br)c1ccc(C#N)c(Cl)c1 |r|
Structure:
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