Reaction Details Report a problem with these data
Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50354983
Substrate
n/a
Meas. Tech.
ChEMBL_772103 (CHEMBL1837869)
Kd
0.291±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:
BDBM50354983
Synonyms:
CHEMBL1836947
Type:
Small organic molecule
Emp. Form.:
C22H25F2N5O2
Mol. Mass.:
429.463
SMILES:
COc1cc(OC(F)F)ccc1-n1c(C)nc2c(NC(C3CC3)C3CC3)nc(C)nc12 |(44.5,-44.78,;42.97,-44.81,;42.22,-46.16,;43.02,-47.47,;42.27,-48.83,;43.06,-50.15,;42.32,-51.49,;43.11,-52.81,;40.78,-51.52,;40.73,-48.85,;39.94,-47.53,;40.69,-46.19,;39.9,-44.87,;40.81,-43.62,;42.35,-43.62,;39.9,-42.36,;38.42,-42.84,;37.09,-42.08,;37.08,-40.54,;35.75,-39.77,;35.74,-38.23,;36.51,-36.91,;34.97,-36.91,;34.42,-40.55,;32.88,-40.55,;33.65,-41.88,;35.76,-42.85,;35.76,-44.39,;34.42,-45.16,;37.09,-45.16,;38.42,-44.39,)|
Structure:
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