Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50398575
Substrate
n/a
Meas. Tech.
ChEMBL_873519 (CHEMBL2187021)
IC50
98±n/a nM
Citation
 Takahashi, YHashizume, MShin, KTerauchi, TTakeda, KHibi, SMurata-Tai, KFujisawa, MShikata, KTaguchi, RIno, MShibata, HYonaga, 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:
BDBM50398575
Synonyms:
CHEMBL2179186
Type:
Small organic molecule
Emp. Form.:
C24H33N3O5S
Mol. Mass.:
475.601
SMILES:
CCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(17.83,-21.66,;19.37,-21.66,;20.13,-20.32,;21.67,-20.32,;22.39,-18.95,;23.94,-18.91,;24.66,-17.55,;23.84,-16.24,;22.3,-16.29,;21.57,-17.66,;22.22,-21.76,;21.34,-23.03,;19.8,-23.06,;19.06,-24.41,;22.27,-24.25,;23.73,-23.74,;25.2,-24.19,;26.08,-22.92,;25.15,-21.7,;23.69,-22.21,;25.95,-25.53,;25.16,-26.85,;23.62,-26.83,;22.82,-28.15,;25.9,-28.2,;27.44,-28.23,;28.19,-29.58,;29.73,-29.6,;30.48,-30.95,;28.24,-26.91,;27.49,-25.56,;28.28,-24.24,;29.82,-24.26,)|
Structure:
Search PDB for entries with ligand similarity: