Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50382548
Substrate
n/a
Meas. Tech.
ChEMBL_816518 (CHEMBL2025098)
IC50
>25000±n/a nM
Citation
 Wang, F; Good, JA; Rath, O; Kaan, HY; Sutcliffe, OB; Mackay, SP; Kozielski, F Triphenylbutanamines: kinesin spindle protein inhibitors with in vivo antitumor activity. J Med Chem 55:1511-25 (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:
BDBM50382548
Synonyms:
CHEMBL2022995
Type:
Small organic molecule
Emp. Form.:
C24H25NO2
Mol. Mass.:
359.4608
SMILES:
Cc1cccc(c1)C(CC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: