BDBM50025678 2,6-Diamino-hexanoic acid (2-{2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetylamino}-ethyl)-amide::CHEMBL70059

SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)[C@@H](N)CCCCN)cc1

InChI Key InChIKey=AFUKOGGTPWMWJR-FQEVSTJZSA-N

Data  1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50025678   

TargetAdenosine receptor A1(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50025678(2,6-Diamino-hexanoic acid (2-{2-[4-(2,6-dioxo-1,3-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)[C@@H](N)CCCCN)cc1
Show InChI InChI=1S/C27H40N8O5/c1-3-15-34-24-22(26(38)35(16-4-2)27(34)39)32-23(33-24)18-8-10-19(11-9-18)40-17-21(36)30-13-14-31-25(37)20(29)7-5-6-12-28/h8-11,20H,3-7,12-17,28-29H2,1-2H3,(H,30,36)(H,31,37)(H,32,33)/t20-/m0/s1
Affinity DataKi:  0.870nMAssay Description:Inhibition of [3H]- PIA binding at adenosine A1 receptor on rat cerebral cortex membranes.More data for this Ligand-Target Pair