Reaction Details Report a problem with these data
Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50417512
Substrate
n/a
Meas. Tech.
ChEMBL_685890 (CHEMBL1292646)
Ki
25.12±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:
BDBM50417512
Synonyms:
CHEMBL1287878
Type:
Small organic molecule
Emp. Form.:
C21H24N6O2
Mol. Mass.:
392.4543
SMILES:
COc1ccc(-c2c(C)nn3c(NC(C)c4nc(C)no4)cc(C)nc23)c(C)c1 |(24.98,-32.53,;23.44,-32.51,;22.69,-31.16,;21.15,-31.13,;20.4,-29.81,;21.19,-28.48,;20.43,-27.14,;21.39,-25.94,;22.92,-25.99,;20.53,-24.65,;19.05,-25.07,;17.75,-24.25,;17.81,-22.71,;16.5,-21.89,;16.55,-20.36,;15.25,-22.79,;13.79,-22.31,;12.88,-23.53,;11.34,-23.53,;13.77,-24.79,;15.25,-24.33,;16.37,-24.97,;16.32,-26.51,;14.96,-27.23,;17.63,-27.33,;18.99,-26.61,;22.73,-28.5,;23.51,-27.18,;23.48,-29.85,)|
Structure:
Search PDB for entries with ligand similarity: