Reaction Details Report a problem with these data
Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50169512
Substrate
n/a
Meas. Tech.
ChEMBL_303113 (CHEMBL829622)
Ki
333±n/a nM
Citation
 Han, X; Pin, SS; Burris, K; Fung, LK; Huang, S; Taber, MT; Zhang, J; Dubowchik, GM Synthesis and structure-activity relationship of imidazo[1,2-a]benzimidazoles as corticotropin-releasing factor 1 receptor antagonists. Bioorg Med Chem Lett 15:4029-32 (2005) [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:
BDBM50169512
Synonyms:
CHEMBL360389 | Diphenethyl-[2-trifluoromethyl-9-(2,4,6-trimethyl-phenyl)-9H-benzo[d]imidazo[1,2-a]imidazol-3-ylmethyl]-amine
Type:
Small organic molecule
Emp. Form.:
C36H35F3N4
Mol. Mass.:
580.6851
SMILES:
Cc1cc(C)c(c(C)c1)-n1c2ccccc2n2c(CN(CCc3ccccc3)CCc3ccccc3)c(nc12)C(F)(F)F |(5.38,-12.68,;4.31,-11.59,;2.82,-11.98,;1.75,-10.89,;.26,-11.26,;2.16,-9.4,;3.64,-9.02,;4.05,-7.54,;4.72,-10.1,;1.09,-8.33,;1.33,-6.8,;2.64,-5.98,;2.57,-4.44,;1.19,-3.73,;-.09,-4.57,;-.02,-6.09,;-1.13,-7.17,;-2.65,-7.4,;-3.74,-6.3,;-3.32,-4.82,;-1.84,-4.43,;-1.43,-2.95,;-1.84,-1.47,;-.74,-.36,;-1.15,1.13,;-2.67,1.53,;-3.76,.41,;-3.34,-1.08,;-4.4,-3.72,;-3.99,-2.24,;-5.06,-1.15,;-4.65,.33,;-5.74,1.42,;-7.22,1.04,;-7.62,-.45,;-6.55,-1.54,;-2.91,-8.91,;-1.53,-9.64,;-.43,-8.54,;-4.29,-9.6,;-5.53,-10.23,;-5.76,-8.94,;-4.64,-11.17,)|
Structure:
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