Reaction Details  Report a problem with these data
Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50398578
Substrate
n/a
Meas. Tech.
ChEMBL_873519 (CHEMBL2187021)
IC50
48±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:
BDBM50398578
Synonyms:
CHEMBL2179183 | US8530504, 27
Type:
Small organic molecule
Emp. Form.:
C23H31N3O5S
Mol. Mass.:
461.574
SMILES:
COCCN(CC1CC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(28.52,-1.59,;26.98,-1.6,;26.23,-2.94,;24.69,-2.96,;23.93,-4.3,;22.41,-4.05,;21.44,-5.25,;19.99,-5.79,;21.19,-6.77,;24.47,-5.75,;23.59,-7.01,;22.06,-7.04,;21.32,-8.39,;24.52,-8.23,;25.98,-7.73,;27.46,-8.17,;28.33,-6.91,;27.4,-5.68,;25.95,-6.19,;28.2,-9.52,;27.42,-10.84,;25.87,-10.81,;25.08,-12.13,;28.16,-12.18,;29.7,-12.21,;30.45,-13.56,;31.99,-13.58,;32.73,-14.93,;30.49,-10.89,;29.74,-9.54,;30.53,-8.23,;32.07,-8.25,)|
Structure:
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