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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 = 'BDBM50011226'   
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


(GUINEA PIG)		BDBM50011226
PNG
(8-[2-(4-Methoxy-phenyl)-1-methyl-ethyl]-1,3-diprop...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)Cc1ccc(OC)cc1
Show InChI InChI=1S/C21H28N4O3/c1-5-11-24-19-17(20(26)25(12-6-2)21(24)27)22-18(23-19)14(3)13-15-7-9-16(28-4)10-8-15/h7-10,14H,5-6,11-13H2,1-4H3,(H,22,23)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 220n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity carried out with [3H]-cyclohexyladenosine in guinea pig forebrain membranes against adenosine A1 receptor

J Med Chem 34: 466-9 (1991)


BindingDB Entry DOI: 10.7270/Q2154G0Z
More data for this
Ligand-Target Pair