Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50048468'   

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))	BDBM50048468 (2-(4-Hydroxy-3-methoxy-phenyl)-5-(3-hydroxy-propyl...) Show SMILES COc1cc(ccc1O)-c1oc2c(OC)cc(CCCO)cc2c1C=O Show InChI InChI=1S/C20H20O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h5-6,8-11,21,23H,3-4,7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.70E+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 Tested for the displacement [3H]-PIA from Adenosine A1 receptor in rat brain membrane				J Med Chem 39: 398-406 (1996) Article DOI: 10.1021/jm9504823 BindingDB Entry DOI: 10.7270/Q2M61JBR
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50048468 (2-(4-Hydroxy-3-methoxy-phenyl)-5-(3-hydroxy-propyl...) Show SMILES COc1cc(ccc1O)-c1oc2c(OC)cc(CCCO)cc2c1C=O Show InChI InChI=1S/C20H20O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h5-6,8-11,21,23H,3-4,7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.70E+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]-PIA binding from adenosine A1 receptor in rat brain membranes.				J Med Chem 39: 781-8 (1996) Article DOI: 10.1021/jm950661k BindingDB Entry DOI: 10.7270/Q2M32TV4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50048468 (2-(4-Hydroxy-3-methoxy-phenyl)-5-(3-hydroxy-propyl...) Show SMILES COc1cc(ccc1O)-c1oc2c(OC)cc(CCCO)cc2c1C=O Show InChI InChI=1S/C20H20O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h5-6,8-11,21,23H,3-4,7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonistic activity against adenosine A1 receptor				Bioorg Med Chem Lett 2: 1631-1634 (1992) Article DOI: 10.1016/S0960-894X(00)80445-X BindingDB Entry DOI: 10.7270/Q2Z60P0N
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50048468 (2-(4-Hydroxy-3-methoxy-phenyl)-5-(3-hydroxy-propyl...) Show SMILES COc1cc(ccc1O)-c1oc2c(OC)cc(CCCO)cc2c1C=O Show InChI InChI=1S/C20H20O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h5-6,8-11,21,23H,3-4,7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]phenylisopropyladenosine from adenosine A1 receptor in bovine cerebral cortex membrane				J Nat Prod 59: 625-628 (1996) Article DOI: 10.1021/np9603939 BindingDB Entry DOI: 10.7270/Q22F7NF2
					More data for this Ligand-Target Pair