Reaction Details  Report a problem with these data
Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50398582
Substrate
n/a
Meas. Tech.
ChEMBL_873519 (CHEMBL2187021)
IC50
50±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:
BDBM50398582
Synonyms:
CHEMBL2179179
Type:
Small organic molecule
Emp. Form.:
C26H35N3O5S
Mol. Mass.:
501.638
SMILES:
COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4CCCOC4)c(OC)nn23)c(OC)c1 |(37.2,-35.01,;36.46,-33.66,;34.92,-33.64,;34.17,-32.29,;32.63,-32.26,;31.88,-30.92,;30.35,-30.9,;29.55,-32.21,;32.67,-29.6,;31.93,-28.26,;32.8,-26.99,;31.87,-25.77,;30.42,-26.28,;28.94,-25.83,;28.4,-24.39,;26.88,-24.14,;25.91,-25.33,;24.47,-25.88,;25.66,-26.85,;29.16,-23.04,;28.36,-21.72,;29.12,-20.39,;28.33,-19.06,;26.79,-19.08,;26.04,-20.42,;26.82,-21.74,;28.06,-27.09,;26.53,-27.13,;25.79,-28.48,;28.99,-28.32,;30.45,-27.81,;34.21,-29.63,;35,-28.31,;36.54,-28.33,;34.96,-30.98,)|
Structure:
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