Reaction Details Report a problem with these data
Target
P2X purinoceptor 7
Ligand
BDBM50234433
Substrate
n/a
Meas. Tech.
ChEMBL_1652698 (CHEMBL4001953)
IC50
18000±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:
BDBM50234433
Synonyms:
CHEMBL4065605
Type:
Small organic molecule
Emp. Form.:
C17H21ClN2O
Mol. Mass.:
304.814
SMILES:
CC12CC3CC1(C)CC3(C2)C(=O)NNc1ccccc1Cl |TLB:2:1:7:3.4,4:3:9:7.5,THB:2:3:7:9.1,0:1:7:3.4|
Structure:
Search PDB for entries with ligand similarity: