Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50009709'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50009709 (4-Amino-5-butyl-1-(3-chloro-phenyl)-1,5-dihydro-py...) Show SMILES CCCCn1c(N)c2cnn(-c3cccc(Cl)c3)c2nc1=O Show InChI InChI=1S/C15H16ClN5O/c1-2-3-7-20-13(17)12-9-18-21(14(12)19-15(20)22)11-6-4-5-10(16)8-11/h4-6,8-9H,2-3,7,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Adenosine A1 receptor binding site				Bioorg Med Chem Lett 5: 2409-2412 (1995) Article DOI: 10.1016/0960-894X(95)00420-X BindingDB Entry DOI: 10.7270/Q2HT2P9M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50009709 (4-Amino-5-butyl-1-(3-chloro-phenyl)-1,5-dihydro-py...) Show SMILES CCCCn1c(N)c2cnn(-c3cccc(Cl)c3)c2nc1=O Show InChI InChI=1S/C15H16ClN5O/c1-2-3-7-20-13(17)12-9-18-21(14(12)19-15(20)22)11-6-4-5-10(16)8-11/h4-6,8-9H,2-3,7,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibitory concentration against R[3H]-N6-PIA binding to adenosine A1 receptor in rat whole brain membrane				J Med Chem 34: 2892-8 (1991) BindingDB Entry DOI: 10.7270/Q2DJ5DMS
					More data for this Ligand-Target Pair