Reaction Details Report a problem with these data
Target
P2X purinoceptor 7
Ligand
BDBM50533061
Substrate
n/a
Meas. Tech.
ChEMBL_1924281 (CHEMBL4427237)
IC50
<10.0±n/a nM
Citation
 Rech, JC; Bhattacharya, A; Letavic, MA; Savall, BM The evolution of P2X7 antagonists with a focus on CNS indications. Bioorg Med Chem Lett 26:3838-45 (2016) [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:
BDBM50533061
Synonyms:
CHEMBL4469592
Type:
Small organic molecule
Emp. Form.:
C21H27ClN2O3
Mol. Mass.:
390.904
SMILES:
C[C@H]1CC[C@@](O)(CNC(=O)c2cc(C3CCOC3)n3cccc(Cl)c23)CC1 |r,wU:1.0,wD:4.4,(57.38,-40.18,;56.24,-39.15,;54.77,-39.61,;53.64,-38.58,;53.97,-37.08,;53.96,-35.54,;52.82,-36.05,;51.36,-36.52,;50.22,-35.49,;50.54,-33.98,;48.75,-35.96,;47.5,-35.06,;46.26,-35.96,;44.79,-35.5,;43.54,-36.41,;42.3,-35.51,;42.77,-34.04,;44.31,-34.04,;46.73,-37.42,;45.96,-38.75,;46.73,-40.08,;48.27,-40.08,;49.03,-38.75,;50.57,-38.75,;48.27,-37.43,;55.43,-36.6,;56.57,-37.64,)|
Structure:
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