Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Cytochrome P450 2C9
Ligand
BDBM50232898
Substrate
n/a
Meas. Tech.
ChEMBL_1649454 (CHEMBL3998588)
IC50
42100±n/a nM
Citation
Borsari, C; Santarem, N; Torrado, J; Olías, AI; Corral, MJ; Baptista, C; Gul, S; Wolf, M; Kuzikov, M; Ellinger, B; Witt, G; Gribbon, P; Reinshagen, J; Linciano, P; Tait, A; Costantino, L; Freitas-Junior, LH; Moraes, CB; Bruno Dos Santos, P; Alcântara, LM; Franco, CH; Bertolacini, CD; Fontana, V; Tejera Nevado, P; Clos, J; Alunda, JM; Cordeiro-da-Silva, A; Ferrari, S; Costi, MP Methoxylated 2'-hydroxychalcones as antiparasitic hit compounds. Eur J Med Chem 126:1129-1135 (2017) [PubMed] Article More Info.:
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:
BDBM50232898
Synonyms:
CHEMBL4071093
Type:
Small organic molecule
Emp. Form.:
C18H18O5
Mol. Mass.:
314.3325
SMILES:
COc1cccc(\C=C\C(=O)c2cc(OC)c(OC)cc2O)c1
Structure:
