Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50417501
Substrate
n/a
Meas. Tech.
ChEMBL_685890
Ki
7.94±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 | CRH-R 1 | 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:
BDBM50417501
Synonyms:
CHEMBL1287904
Type:
Small organic molecule
Emp. Form.:
C22H26N6O2
Mol. Mass.:
406.4808
SMILES:
CCC(Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nc(C)no1 |(-2.06,-31.7,;-3.39,-32.46,;-3.39,-34,;-2.06,-34.77,;-2.07,-36.31,;-3.41,-37.08,;-3.41,-38.62,;-4.75,-39.39,;-2.08,-39.39,;-.75,-38.62,;.72,-39.1,;1.63,-37.87,;3.17,-37.87,;.72,-36.62,;-.74,-37.08,;1.47,-40.45,;.69,-41.78,;1.43,-43.1,;2.97,-43.13,;3.72,-44.47,;5.27,-44.5,;3.76,-41.82,;3.01,-40.46,;3.8,-39.14,;-4.65,-34.89,;-6.11,-34.39,;-7.02,-35.61,;-8.56,-35.59,;-6.14,-36.88,;-4.66,-36.43,)|
Structure:
Search PDB for entries with ligand similarity: