Reaction Details  Report a problem with these data
Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50398583
Substrate
n/a
Meas. Tech.
ChEMBL_873519 (CHEMBL2187021)
IC50
61±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:
BDBM50398583
Synonyms:
CHEMBL2179178
Type:
Small organic molecule
Emp. Form.:
C26H34FN3O5S
Mol. Mass.:
519.629
SMILES:
COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4(F)CCOCC4)c(OC)nn23)c(OC)c1 |(17.48,-35.29,;16.73,-33.94,;15.19,-33.92,;14.44,-32.57,;12.9,-32.54,;12.16,-31.2,;10.62,-31.17,;9.82,-32.49,;12.95,-29.88,;12.21,-28.54,;13.08,-27.27,;12.15,-26.05,;10.7,-26.56,;9.22,-26.11,;8.68,-24.67,;7.16,-24.42,;6.19,-25.61,;4.74,-26.16,;5.94,-27.13,;9.43,-23.32,;8.64,-22,;10.17,-22,;9.39,-20.67,;8.6,-19.34,;7.06,-19.36,;6.32,-20.7,;7.1,-22.02,;8.34,-27.37,;6.81,-27.41,;6.07,-28.76,;9.27,-28.6,;10.73,-28.09,;14.49,-29.91,;15.28,-28.59,;16.81,-28.61,;15.24,-31.26,)|
Structure:
Search PDB for entries with ligand similarity: