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Target
Cytochrome P450 2C9
Ligand
BDBM50433194
Substrate
n/a
Meas. Tech.
ChEMBL_957079 (CHEMBL2378544)
IC50
40300±n/a nM
Citation
 Labeeuw, O; Levoin, N; Poupardin-Olivier, O; Calmels, T; Ligneau, X; Berrebi-Bertrand, I; Robert, P; Lecomte, JM; Schwartz, JC; Capet, M Novel and highly potent histamine H3 receptor ligands. Part 3: an alcohol function to improve the pharmacokinetic profile. Bioorg Med Chem Lett 23:2548-54 (2013) [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:
BDBM50433194
Synonyms:
CHEMBL2375587
Type:
Small organic molecule
Emp. Form.:
C20H31NO2
Mol. Mass.:
317.4656
SMILES:
O[C@H]1CC[C@@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:1.0,wD:4.7,(47.57,-42.13,;46.23,-42.89,;46.22,-44.43,;44.89,-45.19,;43.57,-44.41,;43.56,-42.88,;44.9,-42.11,;42.23,-45.18,;42.22,-46.72,;40.89,-47.49,;39.56,-46.71,;38.23,-47.47,;36.9,-46.7,;35.56,-47.46,;34.23,-46.69,;32.89,-47.46,;31.56,-46.68,;30.23,-47.46,;30.23,-49,;31.56,-49.76,;32.89,-49,;39.56,-45.17,;40.89,-44.41,)|
Structure:
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