Reaction Details  Report a problem with these data
Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50152180
Substrate
n/a
Meas. Tech.
ChEMBL_303525 (CHEMBL839639)
Ki
6.5±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:
415
Sequence:
MGGHPQLRLVKALLLLGLNPVSASLQDQHCESLSLASNISGLQCNASVDLIGTCWPRSPAGQLVVRPCPAFFYGVRYNTTNNGYRECLANGSWAARVNYSECQEILNEEKKSKVHYHVAVIINYLGHCISLVALLVAFVLFLRLRSIRCLRNIIHWNLISAFILRNATWFVVQLTMSPEVHQSNVGWCRLVTAAYNYFHVTNFFWMFGEGCYLHTAIVLTYSTDRLRKWMFICIGWGVPFPIIVAWAIGKLYYDNEKCWFGKRPGVYTDYIYQGPMILVLLINFIFLFNIVRILMTKLRASTTSETIQYRKAVKATLVLLPLLGITYMLFFVNPGEDEVSRVVFIYFNSFLESFQGFFVSVFYCFLNSEVRSAIRKRWHRWQDKHSIRARVARAMSIPTSPTRVSFHSIKQSTAV
  
Inhibitor
Name:
BDBM50152180
Synonyms:
(1-Benzyl-2-methoxy-ethyl)-[3-(6-dimethylamino-4-methyl-pyridin-3-yl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-amine | CHEMBL361670
Type:
Small organic molecule
Emp. Form.:
C26H32N6O
Mol. Mass.:
444.5719
SMILES:
COCC(Cc1ccccc1)Nc1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(7.08,3.77,;6.05,2.61,;4.55,2.94,;3.53,1.77,;2.01,2.09,;1.52,3.55,;2.57,4.71,;2.08,6.15,;.57,6.46,;-.46,5.31,;.03,3.89,;4.01,.32,;2.99,-.84,;3.46,-2.29,;2.43,-3.44,;2.92,-4.9,;.94,-3.13,;.45,-1.68,;-.95,-1.05,;-.79,.49,;-1.95,1.49,;.71,.82,;1.48,-.52,;-2.28,-1.83,;-2.28,-3.37,;-3.61,-4.14,;-4.94,-3.37,;-4.94,-1.83,;-3.61,-1.05,;-3.62,.49,;-6.28,-4.14,;-6.28,-5.68,;-7.62,-3.37,)|
Structure:
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