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Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50417508
Substrate
n/a
Meas. Tech.
ChEMBL_685890 (CHEMBL1292646)
Ki
251.19±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:
BDBM50417508
Synonyms:
CHEMBL1287997
Type:
Small organic molecule
Emp. Form.:
C22H26N6O2
Mol. Mass.:
406.4808
SMILES:
COc1ccc(-c2c(C)nn3c(NC(C)Cc4nnc(C)o4)cc(C)nc23)c(C)c1 |(24.76,-42.57,;23.22,-42.6,;22.42,-41.28,;20.88,-41.31,;20.09,-40.02,;20.82,-38.66,;20.02,-37.34,;20.93,-36.11,;22.47,-36.11,;20.03,-34.86,;18.57,-35.32,;17.24,-34.55,;17.25,-33.01,;15.92,-32.23,;15.9,-30.7,;14.58,-33,;13.35,-32.08,;13.37,-30.55,;11.91,-30.06,;11,-31.29,;9.46,-31.27,;11.88,-32.54,;15.89,-35.31,;15.89,-36.86,;14.55,-37.62,;17.22,-37.63,;18.56,-36.86,;22.36,-38.62,;23.1,-37.27,;23.16,-39.95,)|
Structure:
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