Reaction Details Report a problem with these data
Target
P2X purinoceptor 7
Ligand
BDBM50386568
Substrate
n/a
Meas. Tech.
ChEMBL_826224 (CHEMBL2049235)
IC50
77±n/a nM
Citation
 Lee, WG; Lee, SD; Cho, JH; Jung, Y; Kim, JH; Hien, TT; Kang, KW; Ko, H; Kim, YC Structure-activity relationships and optimization of 3,5-dichloropyridine derivatives as novel P2X(7) receptor antagonists. J Med Chem 55:3687-98 (2012) [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:
BDBM50386568
Synonyms:
CHEMBL2048436
Type:
Small organic molecule
Emp. Form.:
C16H19Cl2N3O
Mol. Mass.:
340.248
SMILES:
Clc1cncc(Cl)c1NNC(=O)C1C2CC3CC(C2)CC1C3 |TLB:10:12:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.21:12,19:17:14:21.20.12,19:20:14:18.16.17,(.23,-.82,;1.57,-1.59,;1.57,-3.13,;2.9,-3.9,;4.24,-3.13,;4.23,-1.58,;5.56,-.8,;2.9,-.82,;2.89,.72,;4.22,1.5,;4.22,3.04,;2.88,3.8,;5.55,3.81,;6.95,3.33,;7.76,1.77,;7.86,3.33,;8.86,4.47,;7.99,5.85,;7.86,4.42,;6.56,6.37,;5.55,5.24,;6.37,3.85,)|
Structure:
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