Reaction Details Report a problem with these data
Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50354982
Substrate
n/a
Meas. Tech.
ChEMBL_772056 (CHEMBL1837665)
Ki
12±n/a nM
Citation
 Miller, DC; Klute, W; Brown, AD Discovery of potent, metabolically stable purine CRF-1 antagonists with differentiated binding kinetic profiles. Bioorg Med Chem Lett 21:6108-11 (2011) [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:
BDBM50354982
Synonyms:
CHEMBL1836946
Type:
Small organic molecule
Emp. Form.:
C21H24ClN5O
Mol. Mass.:
397.901
SMILES:
COc1ccc(c(Cl)c1)-n1c(C)nc2c(NC(C3CC3)C3CC3)nc(C)nc12 |(24.71,-51.72,;25.46,-50.37,;24.66,-49.05,;23.12,-49.08,;22.33,-47.76,;23.08,-46.42,;24.61,-46.38,;25.36,-45.03,;25.41,-47.7,;22.29,-45.1,;23.2,-43.84,;24.74,-43.84,;22.29,-42.59,;20.81,-43.07,;19.48,-42.3,;19.47,-40.76,;18.14,-40,;18.13,-38.46,;18.9,-37.13,;17.36,-37.13,;16.81,-40.77,;15.27,-40.77,;16.04,-42.11,;18.15,-43.07,;18.15,-44.62,;16.81,-45.39,;19.48,-45.39,;20.82,-44.62,)|
Structure:
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