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Target
Cytochrome P450 2C9
Ligand
BDBM50364777
Substrate
n/a
Meas. Tech.
ChEMBL_803273 (CHEMBL1955098)
IC50
8700±n/a nM
Citation
 Pastor, J; Oyarzabal, J; Saluste, G; Alvarez, RM; Rivero, V; Ramos, F; Cendón, E; Blanco-Aparicio, C; Ajenjo, N; Cebriá, A; Albarrán, MI; Cebrián, D; Corrionero, A; Fominaya, J; Montoya, G; Mazzorana, M Hit to lead evaluation of 1,2,3-triazolo[4,5-b]pyridines as PIM kinase inhibitors. Bioorg Med Chem Lett 22:1591-7 (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:
BDBM50364777
Synonyms:
CHEMBL1952142
Type:
Small organic molecule
Emp. Form.:
C19H21F3N6O2
Mol. Mass.:
422.4042
SMILES:
COc1cc(NCC2CCNCC2)nc2n(nnc12)-c1cccc(OC(F)(F)F)c1
Structure:
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