Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50417503
Substrate
n/a
Meas. Tech.
ChEMBL_685890 (CHEMBL1292646)
Ki
6.31±n/a nM
Citation
 Tellew, JELanier, MMoorjani, MLin, ELuo, ZSlee, DHZhang, XHoare, SRGrigoriadis, DESt Denis, YDi Fabio, RDi Modugno, ESaunders, JWilliams, JP Discovery of NBI-77860/GSK561679, a potent corticotropin-releasing factor (CRF1) receptor antagonist with improved pharmacokinetic properties. Bioorg Med Chem Lett 20:7259-64 (2010) [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:
BDBM50417503
Synonyms:
GSK-561679 | GSK561679A | NBI-77860 | VERUCERFONT
Type:
Small organic molecule
Emp. Form.:
C22H26N6O2
Mol. Mass.:
406.4808
SMILES:
CC[C@H](Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nc(C)no1 |r,wD:2.2,(20.63,-20.94,;21.95,-21.72,;21.94,-23.26,;23.27,-24.04,;23.25,-25.58,;21.89,-26.34,;21.88,-27.88,;20.54,-28.64,;23.21,-28.66,;24.55,-27.91,;26,-28.4,;26.93,-27.17,;28.47,-27.19,;26.03,-25.91,;24.57,-26.37,;26.72,-29.77,;25.89,-31.07,;26.59,-32.42,;28.13,-32.5,;28.83,-33.87,;30.37,-33.94,;28.96,-31.21,;28.25,-29.84,;29.08,-28.54,;20.69,-24.16,;19.23,-23.68,;18.32,-24.9,;16.78,-24.89,;19.22,-26.16,;20.69,-25.7,)|
Structure:
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