Reaction Details Report a problem with these data
Target
P2X purinoceptor 7
Ligand
BDBM50234435
Substrate
n/a
Meas. Tech.
ChEMBL_1652698 (CHEMBL4001953)
IC50
933000±n/a nM
Citation
 Barniol-Xicota, M; Kwak, SH; Lee, SD; Caseley, E; Valverde, E; Jiang, LH; Kim, YC; Vázquez, S Escape from adamantane: Scaffold optimization of novel P2X7 antagonists featuring complex polycycles. Bioorg Med Chem Lett 27:759-763 (2017) [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:
BDBM50234435
Synonyms:
CHEMBL4087608
Type:
Small organic molecule
Emp. Form.:
C19H21ClN2O
Mol. Mass.:
328.836
SMILES:
Clc1ccccc1NNC(=O)C12C3CCC4C3C3C(CCC13)C24 |TLB:14:15:12.11:18.17,14:15:12:21.17,9:11:13.14:16,THB:18:22:13.14:16,18:22:12:21.17,21:11:13.14:16,17:16:13.14:11.22|
Structure:
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