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BDBM50025685 2,6-Diamino-hexanoic acid (2-{2-[4-(1,3-diethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetylamino}-ethyl)-amide::CHEMBL68756

SMILES: CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)[C@@H](N)CCCCN)cc1

InChI Key: InChIKey=IWXQVKQUPPWKNV-SFHVURJKSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50025685   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50025685
PNG
(2,6-Diamino-hexanoic acid (2-{2-[4-(1,3-diethyl-2,...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)[C@@H](N)CCCCN)cc1
Show InChI InChI=1S/C25H36N8O5/c1-3-32-22-20(24(36)33(4-2)25(32)37)30-21(31-22)16-8-10-17(11-9-16)38-15-19(34)28-13-14-29-23(35)18(27)7-5-6-12-26/h8-11,18H,3-7,12-15,26-27H2,1-2H3,(H,28,34)(H,29,35)(H,30,31)/t18-/m0/s1
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Similars
PubMed
 9.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]- PIA binding at adenosine A1 receptor on rat cerebral cortex membranes.

J Med Chem 30: 211-4 (1987)


BindingDB Entry DOI: 10.7270/Q2TT4PZP
More data for this
Ligand-Target Pair