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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 = 'BDBM50367269'   
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))		BDBM50367269
PNG
(CHEMBL605671)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=O)CCCCC5SCC6NC(=O)NC56)cc4)cc3)ncnc12 |r|
Show InChI InChI=1S/C38H46N10O8S/c49-17-26-33(53)34(54)37(56-26)48-20-43-32-35(41-19-42-36(32)48)45-24-11-7-22(8-12-24)16-30(52)44-23-9-5-21(6-10-23)15-29(51)40-14-13-39-28(50)4-2-1-3-27-31-25(18-57-27)46-38(55)47-31/h5-12,19-20,25-27,31,33-34,37,49,53-54H,1-4,13-18H2,(H,39,50)(H,40,51)(H,44,52)(H,41,42,45)(H2,46,47,55)/t25?,26-,27?,31?,33-,34-,37?/m1/s1
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Similars
PubMed
 11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.

J Med Chem 28: 1341-6 (1985)


BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair