Target
Cytochrome P450 1A2
Ligand
BDBM50399031
Substrate
n/a
Meas. Tech.
ChEMBL_874066 (CHEMBL2186599)
IC50
1200±n/a nM
Citation
 Hanan, EJvan Abbema, ABarrett, KBlair, WSBlaney, JChang, CEigenbrot, CFlynn, SGibbons, PHurley, CAKenny, JRKulagowski, JLee, LMagnuson, SRMorris, CMurray, JPastor, RMRawson, TSiu, MUltsch, MZhou, ASampath, DLyssikatos, JP Discovery of potent and selective pyrazolopyrimidine janus kinase 2 inhibitors. J Med Chem 55:10090-107 (2012) [PubMed]  Article 
Target
Name:
Cytochrome P450 1A2
Synonyms:
CP1A2_HUMAN | CYP1A2 | CYPIA2 | Cholesterol 25-hydroxylase | Cytochrome P(3)450 | Cytochrome P450 1A | Cytochrome P450 1A2 (CYP1A2) | Cytochrome P450 4 | Cytochrome P450-P3
Type:
Enzyme
Mol. Mass.:
58423.38
Organism:
Homo sapiens (Human)
Description:
P05177
Residue:
516
Sequence:
MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
  
Inhibitor
Name:
BDBM50399031
Synonyms:
CHEMBL2178257 | US8637526, 250
Type:
Small organic molecule
Emp. Form.:
C16H11ClN6O2
Mol. Mass.:
354.751
SMILES:
Nc1ccn2ncc(C(=O)Nc3conc3-c3cccc(Cl)c3)c2n1
Structure:
Search PDB for entries with ligand similarity: