Reaction Details  Report a problem with these data
Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50398573
Substrate
n/a
Meas. Tech.
ChEMBL_873519 (CHEMBL2187021)
IC50
52±n/a nM
Citation
 Takahashi, Y; Hashizume, M; Shin, K; Terauchi, T; Takeda, K; Hibi, S; Murata-Tai, K; Fujisawa, M; Shikata, K; Taguchi, R; Ino, M; Shibata, H; Yonaga, M Design, synthesis, and structure-activity relationships of novel pyrazolo[5,1-b]thiazole derivatives as potent and orally active corticotropin-releasing factor 1 receptor antagonists. J Med Chem 55:8450-63 (2012) [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:
BDBM50398573
Synonyms:
CHEMBL2179188
Type:
Small organic molecule
Emp. Form.:
C25H35N3O5S
Mol. Mass.:
489.628
SMILES:
CCCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(2.77,-37.47,;3.55,-38.8,;5.09,-38.79,;5.85,-37.45,;7.39,-37.45,;8.11,-36.09,;9.66,-36.04,;10.38,-34.69,;9.56,-33.38,;8.02,-33.43,;7.29,-34.79,;7.94,-38.9,;7.06,-40.16,;5.52,-40.19,;4.78,-41.54,;7.99,-41.38,;9.45,-40.88,;10.92,-41.32,;11.8,-40.06,;10.87,-38.83,;9.41,-39.34,;11.67,-42.67,;10.88,-43.99,;9.34,-43.96,;8.54,-45.28,;11.62,-45.33,;13.17,-45.36,;13.91,-46.71,;15.46,-46.74,;16.2,-48.08,;13.96,-44.04,;13.21,-42.69,;14,-41.38,;15.54,-41.4,)|
Structure:
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