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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 = 'BDBM50367686'   
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))		BDBM50367686
PNG
(CHEMBL603579)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3c(Cl)cccc3Cl)ncnc12 |r|
Show InChI InChI=1S/C24H23Cl2N5O4/c25-15-7-4-8-16(26)18(15)14(13-5-2-1-3-6-13)9-27-22-19-23(29-11-28-22)31(12-30-19)24-21(34)20(33)17(10-32)35-24/h1-8,11-12,14,17,20-21,24,32-34H,9-10H2,(H,27,28,29)/t14?,17-,20-,21-,24?/m1/s1
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Similars
PubMed
 61n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity at adenosine A1 receptor from rat brain membranes by [3H]N6-cyclohexyladenosine displacement.

J Med Chem 31: 1282-5 (1988)


BindingDB Entry DOI: 10.7270/Q2KK9CCN
More data for this
Ligand-Target Pair