Target
Cytochrome P450 3A4
Ligand
BDBM50258790
Substrate
n/a
Meas. Tech.
ChEMBL_500560 (CHEMBL971425)
IC50
>100000±n/a nM
Citation
 Huynh, TChen, ZPang, SGeng, JBandiera, TBindi, SVianello, PRoletto, FThieffine, SGalvani, AVaccaro, WPoss, MATrainor, GLLorenzi, MVGottardis, MJayaraman, LPurandare, AV Optimization of pyrazole inhibitors of Coactivator Associated Arginine Methyltransferase 1 (CARM1). Bioorg Med Chem Lett 19:2924-7 (2009) [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:
BDBM50258790
Synonyms:
(S)-2-amino-N-(3-(5-(5-(benzo[d]thiazol-7-yl)-1,3,4-oxadiazol-2-yl)-1H-pyrazol-1-yl)benzyl)propanamide | (S)-2-amino-N-(3-(5-(5-(benzo[d]thiazol-7-yl)-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzyl)propanamide | CHEMBL468927
Type:
Small organic molecule
Emp. Form.:
C23H18F3N7O2S
Mol. Mass.:
513.495
SMILES:
C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1cccc2ncsc12)C(F)(F)F |r|
Structure:
Search PDB for entries with ligand similarity: