Reaction Details Report a problem with these data
Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50398581
Substrate
n/a
Meas. Tech.
ChEMBL_873519 (CHEMBL2187021)
IC50
75±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:
BDBM50398581
Synonyms:
CHEMBL2179180
Type:
Small organic molecule
Emp. Form.:
C26H35N3O5S
Mol. Mass.:
501.638
SMILES:
COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4CCCCO4)c(OC)nn23)c(OC)c1 |(17.31,-54.73,;16.57,-53.39,;15.03,-53.36,;14.28,-52.01,;12.74,-51.99,;12,-50.64,;10.46,-50.62,;9.66,-51.94,;12.78,-49.32,;12.04,-47.98,;12.91,-46.72,;11.99,-45.49,;10.53,-46,;9.06,-45.55,;8.51,-44.11,;6.99,-43.86,;6.02,-45.05,;4.58,-45.6,;5.78,-46.57,;9.27,-42.77,;8.48,-41.45,;9.23,-40.11,;8.44,-38.78,;6.9,-38.8,;6.15,-40.15,;6.94,-41.47,;8.18,-46.82,;6.64,-46.85,;5.9,-48.2,;9.11,-48.04,;10.57,-47.53,;14.32,-49.35,;15.12,-48.03,;16.65,-48.05,;15.07,-50.7,)|
Structure:
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