Reaction Details  Report a problem with these data
Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50398579
Substrate
n/a
Meas. Tech.
ChEMBL_873519 (CHEMBL2187021)
IC50
43±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:
BDBM50398579
Synonyms:
CHEMBL2179182
Type:
Small organic molecule
Emp. Form.:
C25H33N3O5S
Mol. Mass.:
487.612
SMILES:
COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4CCCO4)c(OC)nn23)c(OC)c1 |(15.79,-14.95,;15.04,-13.6,;13.5,-13.58,;12.76,-12.23,;11.22,-12.2,;10.47,-10.86,;8.93,-10.83,;8.13,-12.15,;11.26,-9.54,;10.52,-8.19,;11.39,-6.93,;10.46,-5.7,;9.01,-6.22,;7.53,-5.77,;6.99,-4.32,;5.47,-4.08,;4.5,-5.27,;3.05,-5.81,;4.25,-6.79,;7.74,-2.98,;6.8,-1.76,;7.22,-.29,;5.94,.59,;4.73,-.37,;5.25,-1.82,;6.65,-7.03,;5.11,-7.06,;4.37,-8.41,;7.58,-8.26,;9.04,-7.75,;12.8,-9.56,;13.59,-8.25,;15.13,-8.27,;13.55,-10.92,)|
Structure:
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