Reaction Details Report a problem with these data
Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50417511
Substrate
n/a
Meas. Tech.
ChEMBL_685890 (CHEMBL1292646)
Ki
50.12±n/a nM
Citation
 Tellew, JE; Lanier, M; Moorjani, M; Lin, E; Luo, Z; Slee, DH; Zhang, X; Hoare, SR; Grigoriadis, DE; St Denis, Y; Di Fabio, R; Di Modugno, E; Saunders, J; Williams, 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:
BDBM50417511
Synonyms:
CHEMBL1288058
Type:
Small organic molecule
Emp. Form.:
C22H26N6O3
Mol. Mass.:
422.4802
SMILES:
CCC(Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1OC)c1nc(C)no1 |(13.38,-27.25,;14.71,-28.02,;14.71,-29.55,;16.04,-30.32,;16.04,-31.86,;14.7,-32.64,;14.7,-34.18,;13.37,-34.95,;16.04,-34.94,;17.37,-34.18,;18.83,-34.66,;19.74,-33.41,;21.28,-33.41,;18.83,-32.16,;17.37,-32.64,;19.55,-36.02,;18.73,-37.32,;19.45,-38.68,;20.99,-38.74,;21.72,-40.1,;20.9,-41.41,;21.81,-37.42,;21.09,-36.06,;21.9,-34.75,;23.43,-34.8,;13.46,-30.44,;12.01,-29.95,;11.09,-31.18,;9.56,-31.16,;11.98,-32.43,;13.44,-31.98,)|
Structure:
Search PDB for entries with ligand similarity: