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Target
P2X purinoceptor
Ligand
BDBM254266
Substrate
n/a
Meas. Tech.
ChEMBL_1703453 (CHEMBL4054686)
IC50
7.9±n/a nM
Citation
 Letavic, MA; Savall, BM; Allison, BD; Aluisio, L; Andres, JI; De Angelis, M; Ao, H; Beauchamp, DA; Bonaventure, P; Bryant, S; Carruthers, NI; Ceusters, M; Coe, KJ; Dvorak, CA; Fraser, IC; Gelin, CF; Koudriakova, T; Liang, J; Lord, B; Lovenberg, TW; Otieno, MA; Schoetens, F; Swanson, DM; Wang, Q; Wickenden, AD; Bhattacharya, A 4-Methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-Based P2X7 Receptor Antagonists: Optimization of Pharmacokinetic Properties Leading to the Identification of a Clinical Candidate. J Med Chem 60:4559-4572 (2017) [PubMed]  Article 
Target
Name:
P2X purinoceptor
Synonyms:
P2RX7
Type:
PROTEIN
Mol. Mass.:
68507.84
Organism:
Macaca mulatta
Description:
ChEMBL_117530
Residue:
595
Sequence:
MPACCSCSDVFQYETTKVTRIQSMNYGTIKWFFHVIVFSYVSFALVSDKLYQRKEPVISSVHTKVKGIAEVKEEIVENGVKKLVHSVFDTADYTFPLQGNSFFVMTNFLKTEGQEQRLCPEYPTRRTLCSSDRGCKKGWMDPQSKGIQTGRCVVYEGNRKTCEVSAWCPIEAVGEAPRPALLNSAENFTVLIKNNIDFPGHNYTTRNILPGLNITCTFHKTQNPQCPIFRLGDIFRETGDNFSDVAIQGGIMGIEIYWDCNLDRWFHHCRPKYSFRRLDDKTTNVSLYPGYNFRYAKYYKENNVEKRTLIKVFGIRFDILVFGTGGKFDIIQLVVYIGSTLSYFGLATVFIDFLINTYSSNYCRSHIYPWCKCCQPCVVNEYYYRKKCESIVEPKPTLKYVSFVDESHIRMVNQKLLGRSLQDVKGQEVPRPAMDFTDLSKLPLALHDPPPIPGQPGEMQPLREEATPRSRDSPVWCQCGSCLPSQLPKSHRCLEELCCRKKPGACITTSELFRKLVLSRHVLQFLLLYQEPLLALDVDSTNSRLRHCAYRCYATWRFGSQDMADFAILPSCCRWRIRKEFPKSEGQYSGFKSPY
  
Inhibitor
Name:
BDBM254266
Synonyms:
US10112937, Example 158 | US10150765, Example 158 | US10703749, Example 158 | US9464084, 158
Type:
Small organic molecule
Emp. Form.:
C18H13ClF4N6O
Mol. Mass.:
440.782
SMILES:
C[C@H]1N(CCc2c1nnn2-c1ncc(F)cn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
Structure:
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