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Target
P2X purinoceptor 7
Ligand
BDBM50344736
Substrate
n/a
Meas. Tech.
ChEMBL_749071 (CHEMBL1780668)
IC50
200±n/a nM
Citation
 Duplantier, AJ; Dombroski, MA; Subramanyam, C; Beaulieu, AM; Chang, SP; Gabel, CA; Jordan, C; Kalgutkar, AS; Kraus, KG; Labasi, JM; Mussari, C; Perregaux, DG; Shepard, R; Taylor, TJ; Trevena, KA; Whitney-Pickett, C; Yoon, K Optimization of the physicochemical and pharmacokinetic attributes in a 6-azauracil series of P2X7 receptor antagonists leading to the discovery of the clinical candidate CE-224,535. Bioorg Med Chem Lett 21:3708-11 (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:
BDBM50344736
Synonyms:
2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(4-isobutyl-3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)benzamide | CHEMBL1779510
Type:
Small organic molecule
Emp. Form.:
C22H29ClN4O4
Mol. Mass.:
448.943
SMILES:
CC(C)Cn1c(=O)cnn(-c2ccc(Cl)c(c2)C(=O)NCC2(O)CCCCCC2)c1=O
Structure:
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