Reaction Details Report a problem with these data
Target
P2X purinoceptor 7
Ligand
BDBM50251203
Substrate
n/a
Meas. Tech.
ChEBML_1683149
IC50
12±n/a nM
Citation
 Chrovian, CC; Soyode-Johnson, A; Peterson, AA; Gelin, CF; Deng, X; Dvorak, CA; Carruthers, NI; Lord, B; Fraser, I; Aluisio, L; Coe, KJ; Scott, B; Koudriakova, T; Schoetens, F; Sepassi, K; Gallacher, DJ; Bhattacharya, A; Letavic, MA A Dipolar Cycloaddition Reaction To Access 6-Methyl-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridines Enables the Discovery Synthesis and Preclinical Profiling of a P2X7 Antagonist Clinical Candidate. J Med Chem 61:207-223 (2018) [PubMed]  Article 
Target
Name:
P2X purinoceptor 7
Synonyms:
ATP receptor | P2RX7_RAT | P2X purinoceptor 7 | P2X purinoceptor 7 (P2RX7) | P2X purinoceptor 7 (P2X7) | P2X7 | P2X7 rat | P2Z receptor | P2rx7 | Purinergic receptor
Type:
Protein
Mol. Mass.:
68403.50
Organism:
Rattus norvegicus (Rat)
Description:
Q64663
Residue:
595
Sequence:
MPACCSWNDVFQYETNKVTRIQSVNYGTIKWILHMTVFSYVSFALMSDKLYQRKEPLISSVHTKVKGVAEVTENVTEGGVTKLVHGIFDTADYTLPLQGNSFFVMTNYLKSEGQEQKLCPEYPSRGKQCHSDQGCIKGWMDPQSKGIQTGRCIPYDQKRKTCEIFAWCPAEEGKEAPRPALLRSAENFTVLIKNNIDFPGHNYTTRNILPGMNISCTFHKTWNPQCPIFRLGDIFQEIGENFTEVAVQGGIMGIEIYWDCNLDSWSHRCQPKYSFRRLDDKYTNESLFPGYNFRYAKYYKENGMEKRTLIKAFGVRFDILVFGTGGKFDIIQLVVYIGSTLSYFGLATVCIDLIINTYASTCCRSRVYPSCKCCEPCAVNEYYYRKKCEPIVEPKPTLKYVSFVDEPHIWMVDQQLLGKSLQDVKGQEVPRPQTDFLELSRLSLSLHHSPPIPGQPEEMQLLQIEAVPRSRDSPDWCQCGNCLPSQLPENRRALEELCCRRKPGQCITTSELFSKIVLSREALQLLLLYQEPLLALEGEAINSKLRHCAYRSYATWRFVSQDMADFAILPSCCRWKIRKEFPKTQGQYSGFKYPY
  
Inhibitor
Name:
BDBM50251203
Synonyms:
CHEMBL4062508
Type:
Small organic molecule
Emp. Form.:
C18H17ClF3N7O
Mol. Mass.:
439.822
SMILES:
CCn1ccc(n1)-n1nnc2CN([C@@H](C)Cc12)C(=O)c1ccnc(c1Cl)C(F)(F)F |r|
Structure:
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