Reaction Details Report a problem with these data
Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50169504
Substrate
n/a
Meas. Tech.
ChEMBL_303113 (CHEMBL829622)
Ki
457±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:
BDBM50169504
Synonyms:
(2-Cyclopropyl-ethyl)-[2-trifluoromethyl-9-(2,4,6-trimethyl-phenyl)-9H-benzo[d]imidazo[1,2-a]imidazol-3-ylmethyl]-(3,3,3-trifluoro-propyl)-amine | CHEMBL363281
Type:
Small organic molecule
Emp. Form.:
C28H30F6N4
Mol. Mass.:
536.555
SMILES:
Cc1cc(C)c(c(C)c1)-n1c2ccccc2n2c(CN(CCC3CC3)CCC(F)(F)F)c(nc12)C(F)(F)F |(3.15,-7.19,;2.08,-6.09,;2.49,-4.6,;1.41,-3.5,;1.82,-2.03,;-.07,-3.9,;-.48,-5.38,;-1.97,-5.77,;.59,-6.48,;-1.14,-2.8,;-.9,-1.29,;.4,-.45,;.33,1.09,;-1.04,1.79,;-2.33,.96,;-2.26,-.57,;-3.37,-1.65,;-4.89,-1.87,;-5.98,-.78,;-5.56,.7,;-6.64,1.81,;-8.13,1.41,;-9.22,2.51,;-9.6,4,;-10.69,2.93,;-4.08,1.09,;-3.68,2.58,;-4.76,3.68,;-5.75,4.68,;-4.58,5.28,;-6.36,3.54,;-5.15,-3.41,;-3.78,-4.13,;-2.67,-3.04,;-6.54,-4.09,;-6.89,-5.66,;-7.79,-4.72,;-8.01,-3.43,)|
Structure:
Search PDB for entries with ligand similarity: