Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50185932'   

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 A3 (Homo sapiens (Human))	BDBM50185932 (CHEMBL382194 | N6-(3-iodobenzyl)-9-(3-deoxy-3-urei...) Show SMILES NC(=O)N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H20IN7O4/c19-10-3-1-2-9(4-10)5-21-15-13-16(23-7-22-15)26(8-24-13)17-14(28)12(25-18(20)29)11(6-27)30-17/h1-4,7-8,11-12,14,17,27-28H,5-6H2,(H3,20,25,29)(H,21,22,23)/t11-,12-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor H272E mutant expressed in COS7 cells				J Med Chem 49: 2689-702 (2006) Article DOI: 10.1021/jm050968b BindingDB Entry DOI: 10.7270/Q24B323M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50185932 (CHEMBL382194 | N6-(3-iodobenzyl)-9-(3-deoxy-3-urei...) Show SMILES NC(=O)N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H20IN7O4/c19-10-3-1-2-9(4-10)5-21-15-13-16(23-7-22-15)26(8-24-13)17-14(28)12(25-18(20)29)11(6-27)30-17/h1-4,7-8,11-12,14,17,27-28H,5-6H2,(H3,20,25,29)(H,21,22,23)/t11-,12-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor H272D mutant expressed in COS7 cells				J Med Chem 49: 2689-702 (2006) Article DOI: 10.1021/jm050968b BindingDB Entry DOI: 10.7270/Q24B323M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50185932 (CHEMBL382194 | N6-(3-iodobenzyl)-9-(3-deoxy-3-urei...) Show SMILES NC(=O)N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H20IN7O4/c19-10-3-1-2-9(4-10)5-21-15-13-16(23-7-22-15)26(8-24-13)17-14(28)12(25-18(20)29)11(6-27)30-17/h1-4,7-8,11-12,14,17,27-28H,5-6H2,(H3,20,25,29)(H,21,22,23)/t11-,12-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from wild type adenosine A3 receptor expressed in COS7 cells				J Med Chem 49: 2689-702 (2006) Article DOI: 10.1021/jm050968b BindingDB Entry DOI: 10.7270/Q24B323M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50185932 (CHEMBL382194 | N6-(3-iodobenzyl)-9-(3-deoxy-3-urei...) Show SMILES NC(=O)N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H20IN7O4/c19-10-3-1-2-9(4-10)5-21-15-13-16(23-7-22-15)26(8-24-13)17-14(28)12(25-18(20)29)11(6-27)30-17/h1-4,7-8,11-12,14,17,27-28H,5-6H2,(H3,20,25,29)(H,21,22,23)/t11-,12-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor T94E mutant expressed in COS7 cells				J Med Chem 49: 2689-702 (2006) Article DOI: 10.1021/jm050968b BindingDB Entry DOI: 10.7270/Q24B323M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50185932 (CHEMBL382194 | N6-(3-iodobenzyl)-9-(3-deoxy-3-urei...) Show SMILES NC(=O)N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H20IN7O4/c19-10-3-1-2-9(4-10)5-21-15-13-16(23-7-22-15)26(8-24-13)17-14(28)12(25-18(20)29)11(6-27)30-17/h1-4,7-8,11-12,14,17,27-28H,5-6H2,(H3,20,25,29)(H,21,22,23)/t11-,12-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor T94A mutant expressed in COS7 cells				J Med Chem 49: 2689-702 (2006) Article DOI: 10.1021/jm050968b BindingDB Entry DOI: 10.7270/Q24B323M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50185932 (CHEMBL382194 | N6-(3-iodobenzyl)-9-(3-deoxy-3-urei...) Show SMILES NC(=O)N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H20IN7O4/c19-10-3-1-2-9(4-10)5-21-15-13-16(23-7-22-15)26(8-24-13)17-14(28)12(25-18(20)29)11(6-27)30-17/h1-4,7-8,11-12,14,17,27-28H,5-6H2,(H3,20,25,29)(H,21,22,23)/t11-,12-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor Q167E mutant expressed in COS7 cells				J Med Chem 49: 2689-702 (2006) Article DOI: 10.1021/jm050968b BindingDB Entry DOI: 10.7270/Q24B323M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50185932 (CHEMBL382194 | N6-(3-iodobenzyl)-9-(3-deoxy-3-urei...) Show SMILES NC(=O)N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H20IN7O4/c19-10-3-1-2-9(4-10)5-21-15-13-16(23-7-22-15)26(8-24-13)17-14(28)12(25-18(20)29)11(6-27)30-17/h1-4,7-8,11-12,14,17,27-28H,5-6H2,(H3,20,25,29)(H,21,22,23)/t11-,12-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	180	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Activity against human adenosine A3 receptor H272E mutant expressed in COS7 cells as measured by accumulation of inositol phosphate by PLC assay				J Med Chem 49: 2689-702 (2006) Article DOI: 10.1021/jm050968b BindingDB Entry DOI: 10.7270/Q24B323M
					More data for this Ligand-Target Pair