Reaction Details Report a problem with these data
Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50417509
Substrate
n/a
Meas. Tech.
ChEMBL_685890 (CHEMBL1292646)
Ki
79.43±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:
BDBM50417509
Synonyms:
CHEMBL1288026
Type:
Small organic molecule
Emp. Form.:
C22H26N6O2
Mol. Mass.:
406.4808
SMILES:
COc1ccc(-c2c(C)nn3c(NC(C)Cc4noc(C)n4)cc(C)nc23)c(C)c1 |(24.48,-40.44,;22.94,-40.39,;22.2,-39.04,;20.66,-39,;19.93,-37.66,;20.73,-36.34,;19.99,-34.99,;20.87,-33.74,;22.41,-33.71,;19.94,-32.51,;18.49,-33,;17.15,-32.26,;17.12,-30.72,;15.77,-29.97,;15.72,-28.44,;14.41,-30.69,;13.19,-29.76,;13.22,-28.24,;11.77,-27.73,;10.84,-28.95,;9.31,-28.92,;11.72,-30.21,;15.81,-33.06,;15.85,-34.6,;14.53,-35.39,;17.2,-35.34,;18.52,-34.54,;22.27,-36.38,;23.07,-35.06,;23,-37.74,)|
Structure:
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