Reaction Details Report a problem with these data
Target
P2X purinoceptor 7
Ligand
BDBM50386569
Substrate
n/a
Meas. Tech.
ChEMBL_826224 (CHEMBL2049235)
IC50
340±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:
BDBM50386569
Synonyms:
CHEMBL2048435
Type:
Small organic molecule
Emp. Form.:
C17H21Cl2N3O
Mol. Mass.:
354.274
SMILES:
Clc1cncc(Cl)c1NNC(=O)CC1C2CC3CC(C2)CC1C3 |TLB:12:13:15:19.17.18,THB:17:16:13:19.18.20,17:18:15.16.22:13,20:18:15:22.21.13,20:21:15:19.17.18,(-10.48,.47,;-9.14,-.3,;-9.14,-1.85,;-7.81,-2.62,;-6.47,-1.85,;-6.48,-.3,;-5.15,.48,;-7.81,.47,;-7.82,2.01,;-6.49,2.78,;-6.49,4.32,;-7.83,5.09,;-5.16,5.1,;-3.82,4.33,;-3.81,2.84,;-5.01,1.57,;-3.51,1.99,;-2.11,1.42,;-1.09,2.7,;-2.49,2.35,;-1.08,4.23,;-2.48,4.81,;-3.52,3.57,)|
Structure:
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