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Target
Cytochrome P450 2C9
Ligand
BDBM19188
Substrate
n/a
Meas. Tech.
ChEMBL_590746 (CHEMBL1049146)
IC50
5000±n/a nM
Citation
 Pisani, L; Muncipinto, G; Miscioscia, TF; Nicolotti, O; Leonetti, F; Catto, M; Caccia, C; Salvati, P; Soto-Otero, R; Mendez-Alvarez, E; Passeleu, C; Carotti, A Discovery of a novel class of potent coumarin monoamine oxidase B inhibitors: development and biopharmacological profiling of 7-[(3-chlorobenzyl)oxy]-4-[(methylamino)methyl]-2H-chromen-2-one methanesulfonate (NW-1772) as a highly potent, selective, reversible, and orally active monoamine oxidase B  J Med Chem 52:6685-706 (2009) [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:
BDBM19188
Synonyms:
7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumarin, 2 | 7-[(3-chlorophenyl)methoxy]-4-[(methylamino)methyl]-2H-chromen-2-one | C18 | CHEMBL593763
Type:
Small organic molecule
Emp. Form.:
C18H16ClNO3
Mol. Mass.:
329.778
SMILES:
CNCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
Structure:
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