Reaction Details Report a problem with these data
Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50417504
Substrate
n/a
Meas. Tech.
ChEMBL_685890 (CHEMBL1292646)
Ki
31.62±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:
BDBM50417504
Synonyms:
CHEMBL1287936
Type:
Small organic molecule
Emp. Form.:
C22H24N6O2
Mol. Mass.:
404.465
SMILES:
COc1ccc(-c2c(C)nn3c(NC4(CC4)c4nc(C)no4)cc(C)nc23)c(C)c1 |(27.22,-34.82,;25.68,-34.81,;24.91,-33.47,;23.37,-33.46,;22.62,-32.15,;23.39,-30.81,;22.62,-29.48,;23.52,-28.23,;25.06,-28.22,;22.6,-26.99,;21.15,-27.47,;19.81,-26.71,;19.8,-25.17,;18.45,-24.41,;17.68,-23.07,;19.22,-23.07,;17.21,-25.32,;15.75,-24.84,;14.85,-26.06,;13.31,-26.06,;15.74,-27.32,;17.22,-26.86,;18.47,-27.49,;18.49,-29.03,;17.16,-29.81,;19.83,-29.79,;21.15,-29.01,;24.92,-30.81,;25.7,-29.48,;25.69,-32.16,)|
Structure:
Search PDB for entries with ligand similarity: