Reaction Details Report a problem with these data
Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50319898
Substrate
n/a
Meas. Tech.
ChEMBL_635026 (CHEMBL1118577)
Ki
78±n/a nM
Citation
 Zuev, D; Vrudhula, VM; Michne, JA; Dasgupta, B; Pin, SS; Huang, XS; Wu, D; Gao, Q; Zhang, J; Taber, MT; Macor, JE; Dubowchik, GM Discovery of 6-chloro-2-trifluoromethyl-7-aryl-7H-imidazo[1,2-a]imidazol-3-ylmethylamines, a novel class of corticotropin-releasing factor receptor type 1 (CRF1R) antagonists. Bioorg Med Chem Lett 20:3669-74 (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:
BDBM50319898
Synonyms:
CHEMBL1086142 | N-((2-chloro-1-mesityl-6-(trifluoromethyl)-1H-imidazo[1,2-a]imidazol-5-yl)methyl)-N-ethylbutan-1-amine
Type:
Small organic molecule
Emp. Form.:
C22H28ClF3N4
Mol. Mass.:
440.933
SMILES:
CCCCN(CC)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(10.63,-24.58,;9.84,-25.9,;8.31,-25.88,;7.52,-27.2,;8.27,-28.55,;9.81,-28.57,;10.56,-29.91,;7.48,-29.87,;7.92,-31.35,;6.98,-32.58,;7.87,-33.85,;9.35,-33.4,;10.81,-33.91,;11.74,-32.67,;13.28,-32.7,;10.86,-31.41,;9.38,-31.86,;11.58,-35.24,;13.11,-35.24,;13.87,-33.91,;13.88,-36.57,;13.1,-37.91,;13.87,-39.25,;11.56,-37.91,;10.79,-36.57,;9.26,-36.56,;5.44,-32.55,;4.7,-31.2,;4.64,-33.86,;3.9,-32.53,)|
Structure:
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