Reaction Details Report a problem with these data
Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50319906
Substrate
n/a
Meas. Tech.
ChEMBL_635026 (CHEMBL1118577)
Ki
5.2±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:
BDBM50319906
Synonyms:
CHEMBL1083933 | N-((2-chloro-1-mesityl-6-(trifluoromethyl)-1H-imidazo[1,2-a]imidazol-5-yl)methyl)-N-(cyclopropylmethyl)-2,2,2-trifluoroethanamine
Type:
Small organic molecule
Emp. Form.:
C22H23ClF6N4
Mol. Mass.:
492.888
SMILES:
Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(CC3CC3)CC(F)(F)F)c(nc12)C(F)(F)F |(13.95,-9.34,;13.19,-8.01,;13.96,-6.67,;13.19,-5.34,;13.96,-4,;11.66,-5.34,;10.88,-6.67,;9.34,-6.66,;11.65,-8,;10.9,-4,;11.83,-2.77,;13.37,-2.8,;10.95,-1.51,;9.47,-1.95,;8.01,-1.44,;7.56,.03,;8.35,1.36,;7.6,2.7,;8.39,4.02,;9.74,4.77,;8.41,5.56,;9.89,1.34,;10.68,2.66,;12.22,2.64,;9.93,4,;11.44,4,;7.07,-2.67,;7.95,-3.94,;9.43,-3.5,;5.53,-2.64,;4.79,-1.29,;4.73,-3.96,;3.98,-2.63,)|
Structure:
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