Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50166956
Substrate
n/a
Meas. Tech.
ChEMBL_1573499 (CHEMBL3801262)
IC50
21100±n/a nM
Citation
 Gogliotti, RD; Engers, DW; Garcia-Barrantes, PM; Panarese, JD; Gentry, PR; Blobaum, AL; Morrison, RD; Daniels, JS; Thompson, AD; Jones, CK; Conn, PJ; Niswender, CM; Lindsley, CW; Hopkins, CR Discovery of 3-aminopicolinamides as metabotropic glutamate receptor subtype 4 (mGlu4) positive allosteric modulator warheads engendering CNS exposure and in vivo efficacy. Bioorg Med Chem Lett 26:2915-2919 (2016) [PubMed]  Article 
Target
Name:
Cytochrome P450 3A4
Synonyms:
Albendazole monooxygenase | Albendazole sulfoxidase | CP3A4_HUMAN | CYP3A3 | CYP3A4 | CYPIIIA3 | CYPIIIA4 | Cytochrome P450 3A3 | Cytochrome P450 3A4 (CYP3A4) | Cytochrome P450 HLp | Nifedipine oxidase | Quinine 3-monooxygenase | Taurochenodeoxycholate 6-alpha-hydroxylase
Type:
Enzyme
Mol. Mass.:
57349.57
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
503
Sequence:
MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA
  
Inhibitor
Name:
BDBM50166956
Synonyms:
CHEMBL3798517
Type:
Small organic molecule
Emp. Form.:
C18H16ClN5O2
Mol. Mass.:
369.805
SMILES:
CCc1cnc(Oc2ccc(NC(=O)c3ncccc3N)cc2Cl)nc1
Structure:
Search PDB for entries with ligand similarity: