Reaction Details Report a problem with these data
Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50076609
Substrate
n/a
Meas. Tech.
ChEBML_50955
Ki
4.4±n/a nM
Citation
 Beck, JP; Arvanitis, AG; Curry, MA; Rescinito, JT; Fitzgerald, LW; Gilligan, PJ; Zaczek, R; Trainor, GL Purin-8-ones as corticotropin-releasing hormone (CRH-R1) receptor antagonists. Bioorg Med Chem Lett 9:967-72 (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:
BDBM50076609
Synonyms:
6-(Butyl-ethyl-amino)-2,7-dimethyl-9-(2,4,6-trimethyl-phenyl)-7,9-dihydro-purin-8-one | CHEMBL173196
Type:
Small organic molecule
Emp. Form.:
C22H31N5O
Mol. Mass.:
381.5144
SMILES:
CCCCN(CC)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=O)n(C)c12 |(5.81,1.7,;5.81,.16,;4.48,-.61,;4.5,-2.15,;5.84,-2.91,;7.18,-2.14,;7.17,-.61,;5.85,-4.45,;4.52,-5.22,;4.52,-6.77,;3.18,-7.54,;5.85,-7.54,;7.19,-6.76,;8.66,-7.23,;9.15,-8.68,;10.64,-8.98,;11.66,-7.82,;11.13,-10.44,;10.1,-11.59,;10.59,-13.06,;8.6,-11.29,;8.12,-9.82,;6.61,-9.51,;9.57,-5.98,;11.11,-5.97,;8.65,-4.73,;9.12,-3.27,;7.19,-5.22,)|
Structure:
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