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TargetCytochrome P450 2C9
LigandBDBM50183449
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1586833
IC50>50000±n/a nM
Citation Martin LJKoegl MBader GCockcroft XLFedorov OFiegen DGerstberger THofmann MHHohmann AFKessler DKnapp SKnesl PKornigg SMüller SNar HRogers CRumpel KSchaaf OSteurer STallant CVakoc CRZeeb MZoephel APearson MBoehmelt GMcConnell D Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J Med Chem 59:4462-75 (2016) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 2C9
Name:Cytochrome P450 2C9
Synonyms:(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CYPIIC9 | Cytochrome P450 1A2 (CYP1A2) | 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:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
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  Blast E-value cutoff:
BDBM50183449
n/a
NameBDBM50183449
Synonyms:CHEMBL3823101
TypeSmall organic molecule
Emp. Form.C20H23N3O3
Mol. Mass.353.4149
SMILESCOc1cc(c(OC)cc1CN(C)C)-c1cn(C)c(=O)c2cnccc12
Structure
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