Reaction Details  Report a problem with these data
Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50398568
Substrate
n/a
Meas. Tech.
ChEMBL_873519 (CHEMBL2187021)
IC50
63±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:
BDBM50398568
Synonyms:
CHEMBL2179193
Type:
Small organic molecule
Emp. Form.:
C23H30ClN3O4S
Mol. Mass.:
480.02
SMILES:
CCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(Cl)cc(COC)cc1OC |(4.17,-24.41,;5.71,-24.4,;6.47,-23.06,;8.01,-23.06,;8.74,-21.7,;10.28,-21.65,;11,-20.3,;10.19,-18.98,;8.64,-19.04,;7.91,-20.4,;8.56,-24.51,;7.68,-25.77,;6.14,-25.8,;5.4,-27.15,;8.61,-26.99,;10.07,-26.49,;11.55,-26.93,;12.42,-25.67,;11.49,-24.44,;10.04,-24.95,;12.29,-28.28,;13.83,-28.3,;14.62,-26.98,;14.58,-29.65,;13.79,-30.97,;14.53,-32.32,;16.08,-32.34,;16.82,-33.69,;12.25,-30.94,;11.5,-29.6,;9.96,-29.57,;9.16,-30.89,)|
Structure:
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