Reaction Details Report a problem with these data
Target
P2X purinoceptor 7
Ligand
BDBM50344927
Substrate
n/a
Meas. Tech.
ChEMBL_748931 (CHEMBL1781379)
IC50
111±n/a nM
Citation
 Matasi, JJ; Brumfield, S; Tulshian, D; Czarnecki, M; Greenlee, W; Garlisi, CG; Qiu, H; Devito, K; Chen, SC; Sun, Y; Bertorelli, R; Geiss, W; Le, VD; Martin, GS; Vellekoop, SA; Haber, J; Allard, ML Synthesis and SAR development of novel P2X7 receptor antagonists for the treatment of pain: part 1. Bioorg Med Chem Lett 21:3805-8 (2011) [PubMed]  Article 
Target
Name:
P2X purinoceptor 7
Synonyms:
ATP receptor | P2RX7 | P2RX7_HUMAN | P2X purinoceptor 7 (P2RX7) | P2X purinoceptor 7 (P2X7) | P2X7 | P2Z receptor | Purinergic receptor
Type:
Protein
Mol. Mass.:
68602.85
Organism:
Homo sapiens (Human)
Description:
Q99572
Residue:
595
Sequence:
MPACCSCSDVFQYETNKVTRIQSMNYGTIKWFFHVIIFSYVCFALVSDKLYQRKEPVISSVHTKVKGIAEVKEEIVENGVKKLVHSVFDTADYTFPLQGNSFFVMTNFLKTEGQEQRLCPEYPTRRTLCSSDRGCKKGWMDPQSKGIQTGRCVVYEGNQKTCEVSAWCPIEAVEEAPRPALLNSAENFTVLIKNNIDFPGHNYTTRNILPGLNITCTFHKTQNPQCPIFRLGDIFRETGDNFSDVAIQGGIMGIEIYWDCNLDRWFHHCRPKYSFRRLDDKTTNVSLYPGYNFRYAKYYKENNVEKRTLIKVFGIRFDILVFGTGGKFDIIQLVVYIGSTLSYFGLAAVFIDFLIDTYSSNCCRSHIYPWCKCCQPCVVNEYYYRKKCESIVEPKPTLKYVSFVDESHIRMVNQQLLGRSLQDVKGQEVPRPAMDFTDLSRLPLALHDTPPIPGQPEEIQLLRKEATPRSRDSPVWCQCGSCLPSQLPESHRCLEELCCRKKPGACITTSELFRKLVLSRHVLQFLLLYQEPLLALDVDSTNSRLRHCAYRCYATWRFGSQDMADFAILPSCCRWRIRKEFPKSEGQYSGFKSPY
  
Inhibitor
Name:
BDBM50344927
Synonyms:
(R)-7-cyclopentyl-1-(3,4-difluorobenzyl)-5-ethyl-2-(4-fluorophenyl)-7,8-dihydro-1H-imidazo[2,1-b]purin-4(5H)-one | CHEMBL1777937
Type:
Small organic molecule
Emp. Form.:
C27H26F3N5O
Mol. Mass.:
493.5234
SMILES:
CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(F)cc3)n2Cc2ccc(F)c(F)c2)C1=O)C1CCCC1 |r,t:3|
Structure:
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