Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50067079'   

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))	BDBM50067079 (1-Phenyl-2-(3-pyridin-2-yl-isoquinolin-1-yl)-ethan...) Show SMILES O=C(Cc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1 Show InChI InChI=1S/C22H16N2O/c25-22(16-8-2-1-3-9-16)15-20-18-11-5-4-10-17(18)14-21(24-20)19-12-6-7-13-23-19/h1-14H,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from adenosine A1 receptor of rat brain cortical membrane				J Med Chem 43: 2227-38 (2000) BindingDB Entry DOI: 10.7270/Q2T72GNJ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50067079 (1-Phenyl-2-(3-pyridin-2-yl-isoquinolin-1-yl)-ethan...) Show SMILES O=C(Cc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1 Show InChI InChI=1S/C22H16N2O/c25-22(16-8-2-1-3-9-16)15-20-18-11-5-4-10-17(18)14-21(24-20)19-12-6-7-13-23-19/h1-14H,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from Adenosine A1 receptor of rat cortical membrane				J Med Chem 41: 3987-93 (1998) Article DOI: 10.1021/jm980036q BindingDB Entry DOI: 10.7270/Q2D21WR1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50067079 (1-Phenyl-2-(3-pyridin-2-yl-isoquinolin-1-yl)-ethan...) Show SMILES O=C(Cc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1 Show InChI InChI=1S/C22H16N2O/c25-22(16-8-2-1-3-9-16)15-20-18-11-5-4-10-17(18)14-21(24-20)19-12-6-7-13-23-19/h1-14H,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from Adenosine A1 receptor of rat cortical membrane				J Med Chem 41: 3994-4000 (1998) Article DOI: 10.1021/jm980037i BindingDB Entry DOI: 10.7270/Q2891513
					More data for this Ligand-Target Pair