Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50054684'   

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))	BDBM50054684 (2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...) Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23| Show InChI InChI=1S/C26H25NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-15,21-22H,4-5H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of specific [3H]-(R)-PIA binding at adenosine A1 receptor from rat brain membranes.				J Med Chem 40: 2596-608 (1997) Article DOI: 10.1021/jm970091j BindingDB Entry DOI: 10.7270/Q21V5D29
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50054684 (2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...) Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23| Show InChI InChI=1S/C26H25NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-15,21-22H,4-5H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor in rat cerebral cortex membrane by radioligand binding assay using [3H](R)-PIA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50054684 (2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...) Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23| Show InChI InChI=1S/C26H25NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-15,21-22H,4-5H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [3H]-R-PIA from adenosine A1 receptor of rat brain membrane				J Med Chem 42: 3055-65 (1999) Article DOI: 10.1021/jm980688e BindingDB Entry DOI: 10.7270/Q27W6BC3
					More data for this Ligand-Target Pair