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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50021082'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50021082
PNG
(1,3-Dicyclohexyl-1-{2-[4-(2,6-dioxo-1,3-dipropyl-2...)
Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(C2CCCCC2)C(=O)NC2CCCCC2)cc1
Show InChI InChI=1S/C32H44N6O5/c1-3-19-36-29-27(30(40)37(20-4-2)32(36)42)34-28(35-29)22-15-17-25(18-16-22)43-21-26(39)38(24-13-9-6-10-14-24)31(41)33-23-11-7-5-8-12-23/h15-18,23-24H,3-14,19-21H2,1-2H3,(H,33,41)(H,34,35)
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PC sid
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Similars
PubMed
 96n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair