Reaction Details Report a problem with these data
Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50152160
Substrate
n/a
Meas. Tech.
ChEMBL_303525 (CHEMBL839639)
Ki
3.4±n/a nM
Citation
 Chen, C; Wilcoxen, KM; Huang, CQ; Xie, YF; McCarthy, JR; Webb, TR; Zhu, YF; Saunders, J; Liu, XJ; Chen, TK; Bozigian, H; Grigoriadis, DE Design of 2,5-dimethyl-3-(6-dimethyl-4-methylpyridin-3-yl)-7-dipropylaminopyrazolo[1,5-a]pyrimidine (NBI 30775/R121919) and structure--activity relationships of a series of potent and orally active corticotropin-releasing factor receptor antagonists. J Med Chem 47:4787-98 (2004) [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:
BDBM50152160
Synonyms:
CHEMBL186592 | [3-(6-Dimethylamino-4-methyl-pyridin-3-yl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-ethyl-(2-fluoro-benzyl)-amine
Type:
Small organic molecule
Emp. Form.:
C25H29FN6
Mol. Mass.:
432.5364
SMILES:
CCN(Cc1ccccc1F)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(5.85,1.49,;4.82,.34,;3.32,.67,;2.84,2.12,;3.85,3.28,;5.36,2.95,;6.38,4.12,;5.9,5.56,;4.38,5.87,;3.36,4.73,;1.86,5.05,;2.29,-.49,;2.77,-1.93,;1.75,-3.08,;2.24,-4.54,;.26,-2.77,;-.23,-1.31,;-1.63,-.71,;-1.48,.84,;-2.63,1.86,;.02,1.16,;.79,-.17,;-2.96,-1.47,;-2.96,-3.01,;-4.29,-3.8,;-5.62,-3.01,;-5.62,-1.49,;-4.29,-.71,;-4.3,.84,;-6.96,-3.8,;-6.96,-5.32,;-8.29,-3.01,)|
Structure:
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