Reaction Details Report a problem with these data
Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50074496
Substrate
n/a
Meas. Tech.
ChEMBL_51114 (CHEMBL664960)
Ki
3.5±n/a nM
Citation
 Chorvat, RJ; Bakthavatchalam, R; Beck, JP; Gilligan, PJ; Wilde, RG; Cocuzza, AJ; Hobbs, FW; Cheeseman, RS; Curry, M; Rescinito, JP; Krenitsky, P; Chidester, D; Yarem, JA; Klaczkiewicz, JD; Hodge, CN; Aldrich, PE; Wasserman, ZR; Fernandez, CH; Zaczek, R; Fitzgerald, LW; Huang, SM; Shen, HL; Wong, YN; Chien, BM; Arvanitis, A Synthesis, corticotropin-releasing factor receptor binding affinity, and pharmacokinetic properties of triazolo-, imidazo-, and pyrrolopyrimidines and -pyridines. J Med Chem 42:833-48 (1999) [PubMed]  Article 
Target
Name:
Corticotropin-releasing factor receptor 1
Synonyms:
CRF-R | CRF-R2 Alpha | CRF1 | CRFR | CRFR1 | CRFR1_HUMAN | CRH-R 1 | CRHR | CRHR1 | Corticotropin releasing factor receptor 1 | Corticotropin-releasing factor receptor 1 (CRF-1) | Corticotropin-releasing factor receptor 1 (CRF1) | Corticotropin-releasing hormone receptor 1
Type:
Enzyme
Mol. Mass.:
50744.31
Organism:
Homo sapiens (Human)
Description:
P34998
Residue:
444
Sequence:
MGGHPQLRLVKALLLLGLNPVSASLQDQHCESLSLASNISGLQCNASVDLIGTCWPRSPAGQLVVRPCPAFFYGVRYNTTNNGYRECLANGSWAARVNYSECQEILNEEKKSKVHYHVAVIINYLGHCISLVALLVAFVLFLRLRPGCTHWGDQADGALEVGAPWSGAPFQVRRSIRCLRNIIHWNLISAFILRNATWFVVQLTMSPEVHQSNVGWCRLVTAAYNYFHVTNFFWMFGEGCYLHTAIVLTYSTDRLRKWMFICIGWGVPFPIIVAWAIGKLYYDNEKCWFGKRPGVYTDYIYQGPMILVLLINFIFLFNIVRILMTKLRASTTSETIQYRKAVKATLVLLPLLGITYMLFFVNPGEDEVSRVVFIYFNSFLESFQGFFVSVFYCFLNSEVRSAIRKRWHRWQDKHSIRARVARAMSIPTSPTRVSFHSIKQSTAV
  
Inhibitor
Name:
BDBM50074496
Synonyms:
Butyl-[9-(2-chloro-4,6-dimethoxy-phenyl)-2,8-dimethyl-9H-purin-6-yl]-ethyl-amine | CHEMBL423444
Type:
Small organic molecule
Emp. Form.:
C21H28ClN5O2
Mol. Mass.:
417.932
SMILES:
CCCCN(CC)c1nc(C)nc2n(c(C)nc12)-c1c(Cl)cc(OC)cc1OC |(12.72,1.93,;12.72,.39,;11.39,-.38,;11.39,-1.94,;10.06,-2.71,;8.73,-1.94,;7.38,-2.71,;10.06,-4.25,;8.73,-5.02,;8.73,-6.56,;7.38,-7.33,;10.06,-7.33,;11.39,-6.56,;12.86,-7.03,;13.75,-5.79,;15.29,-5.79,;12.86,-4.53,;11.39,-5.02,;13.49,-8.43,;15.01,-8.59,;15.92,-7.35,;15.64,-10.01,;14.73,-11.25,;15.36,-12.68,;16.9,-12.86,;13.21,-11.09,;12.58,-9.69,;11.04,-9.53,;10.13,-10.79,)|
Structure:
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