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Target
Cytochrome P450 2C9
Ligand
BDBM50385790
Substrate
n/a
Meas. Tech.
ChEMBL_823568 (CHEMBL2046011)
IC50
>50000±n/a nM
Citation
 Vachal, P; Miao, S; Pierce, JM; Guiadeen, D; Colandrea, VJ; Wyvratt, MJ; Salowe, SP; Sonatore, LM; Milligan, JA; Hajdu, R; Gollapudi, A; Keohane, CA; Lingham, RB; Mandala, SM; DeMartino, JA; Tong, X; Wolff, M; Steinhuebel, D; Kieczykowski, GR; Fleitz, FJ; Chapman, K; Athanasopoulos, J; Adam, G; Akyuz, CD; Jena, DK; Lusen, JW; Meng, J; Stein, BD; Xia, L; Sherer, EC; Hale, JJ 1,3,8-Triazaspiro[4.5]decane-2,4-diones as efficacious pan-inhibitors of hypoxia-inducible factor prolyl hydroxylase 1-3 (HIF PHD1-3) for the treatment of anemia. J Med Chem 55:2945-59 (2012) [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:
BDBM50385790
Synonyms:
CHEMBL2041177
Type:
Small organic molecule
Emp. Form.:
C32H31N7O4
Mol. Mass.:
577.633
SMILES:
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C(N)=O
Structure:
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