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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 = 'BDBM50025686'   
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))		BDBM50025686
PNG
(CHEMBL66919 | {5-Amino-1-[4-(2-{2-[4-(1,3-diethyl-...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)C(CCCCNC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C38H50N8O9/c1-6-45-32-30(34(49)46(7-2)37(45)52)43-31(44-32)26-16-18-27(19-17-26)53-24-29(47)39-21-22-40-33(48)28(42-36(51)55-38(3,4)5)15-11-12-20-41-35(50)54-23-25-13-9-8-10-14-25/h8-10,13-14,16-19,28H,6-7,11-12,15,20-24H2,1-5H3,(H,39,47)(H,40,48)(H,41,50)(H,42,51)(H,43,44)
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PC cid
PC sid
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Similars
PubMed
 180n/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