Reaction Details Report a problem with these data
Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50319893
Substrate
n/a
Meas. Tech.
ChEMBL_635026 (CHEMBL1118577)
Ki
5.3±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:
BDBM50319893
Synonyms:
CHEMBL1083952 | N-((2-chloro-1-mesityl-6-(trifluoromethyl)-1H-imidazo[1,2-a]imidazol-5-yl)methyl)-N-(cyclobutylmethyl)propan-1-amine
Type:
Small organic molecule
Emp. Form.:
C24H30ClF3N4
Mol. Mass.:
466.97
SMILES:
CCCN(CC1CCC1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(25.09,-41.84,;23.55,-41.82,;22.77,-43.15,;21.23,-43.12,;20.47,-41.78,;18.93,-41.76,;17.87,-40.66,;16.76,-41.73,;17.84,-42.83,;20.44,-44.45,;20.88,-45.92,;19.94,-47.16,;20.82,-48.43,;22.3,-47.98,;23.77,-48.48,;24.7,-47.25,;26.24,-47.28,;23.82,-45.99,;22.34,-46.43,;24.53,-49.82,;26.06,-49.82,;26.83,-48.48,;26.83,-51.15,;26.06,-52.49,;26.83,-53.82,;24.52,-52.48,;23.75,-51.15,;22.21,-51.14,;18.4,-47.12,;17.66,-45.77,;17.6,-48.44,;16.85,-47.11,)|
Structure:
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