Reaction Details Report a problem with these data
Target
P2X purinoceptor 7
Ligand
BDBM50225550
Substrate
n/a
Meas. Tech.
ChEMBL_451545 (CHEMBL900721)
IC50
32±n/a nM
Citation
Furber, M; Alcaraz, L; Bent, JE; Beyerbach, A; Bowers, K; Braddock, M; Caffrey, MV; Cladingboel, D; Collington, J; Donald, DK; Fagura, M; Ince, F; Kinchin, EC; Laurent, C; Lawson, M; Luker, TJ; Mortimore, MM; Pimm, AD; Riley, RJ; Roberts, N; Robertson, M; Theaker, J; Thorne, PV; Weaver, R; Webborn, P; Willis, P Discovery of potent and selective adamantane-based small-molecule P2X(7) receptor antagonists/interleukin-1beta inhibitors. J Med Chem 50:5882-5 (2007) [PubMed] Article
More Info.:
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:
Rat
Description:
Q64663
Residue:
595
Sequence:
MPACCSWNDVFQYETNKVTRIQSVNYGTIKWILHMTVFSYVSFALMSDKLYQRKEPLISSVHTKVKGVAEVTENVTEGGVTKLVHGIFDTADYTLPLQGNSFFVMTNYLKSEGQEQKLCPEYPSRGKQCHSDQGCIKGWMDPQSKGIQTGRCIPYDQKRKTCEIFAWCPAEEGKEAPRPALLRSAENFTVLIKNNIDFPGHNYTTRNILPGMNISCTFHKTWNPQCPIFRLGDIFQEIGENFTEVAVQGGIMGIEIYWDCNLDSWSHRCQPKYSFRRLDDKYTNESLFPGYNFRYAKYYKENGMEKRTLIKAFGVRFDILVFGTGGKFDIIQLVVYIGSTLSYFGLATVCIDLIINTYASTCCRSRVYPSCKCCEPCAVNEYYYRKKCEPIVEPKPTLKYVSFVDEPHIWMVDQQLLGKSLQDVKGQEVPRPQTDFLELSRLSLSLHHSPPIPGQPEEMQLLQIEAVPRSRDSPDWCQCGNCLPSQLPENRRALEELCCRRKPGQCITTSELFSKIVLSREALQLLLLYQEPLLALEGEAINSKLRHCAYRSYATWRFVSQDMADFAILPSCCRWKIRKEFPKTQGQYSGFKYPY
Inhibitor
Name:
BDBM50225550
Synonyms:
CHEMBL392558 | N-adamantan-1-ylmethyl-2-chloro-5-piperidin-3-ylmethyl-benzamide
Type:
Small organic molecule
Emp. Form.:
C24H33ClN2O
Mol. Mass.:
400.985
SMILES:
Clc1ccc(CC2CCCNC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 |w:6.5,TLB:17:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24|