Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50138568'   

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))	BDBM50138568 (CHEMBL3754229) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1 Show InChI InChI=1S/C23H17N5O2S/c1-30-17-11-9-15(10-12-17)23(29)26-22-20-18(24-21(25-22)19-8-5-13-31-19)14-28(27-20)16-6-3-2-4-7-16/h2-14H,1H3,(H,24,25,26,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method				Eur J Med Chem 108: 117-33 (2016) Article DOI: 10.1016/j.ejmech.2015.11.015 BindingDB Entry DOI: 10.7270/Q2NK3GWZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50138568 (CHEMBL3754229) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1 Show InChI InChI=1S/C23H17N5O2S/c1-30-17-11-9-15(10-12-17)23(29)26-22-20-18(24-21(25-22)19-8-5-13-31-19)14-28(27-20)16-6-3-2-4-7-16/h2-14H,1H3,(H,24,25,26,29)	Reactome pathway KEGG UniProtKB/SwissProt 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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA at rat A3 receptor expressed in HEK293 cells after 60 mins by scintillation counting method				Eur J Med Chem 108: 117-33 (2016) Article DOI: 10.1016/j.ejmech.2015.11.015 BindingDB Entry DOI: 10.7270/Q2NK3GWZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50138568 (CHEMBL3754229) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1 Show InChI InChI=1S/C23H17N5O2S/c1-30-17-11-9-15(10-12-17)23(29)26-22-20-18(24-21(25-22)19-8-5-13-31-19)14-28(27-20)16-6-3-2-4-7-16/h2-14H,1H3,(H,24,25,26,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Antagonist activity at human A3 receptor expressed in CHO cells assessed as inhibition of Cl-IB-MECA-induced cAMP production by scintillation countin...				Eur J Med Chem 108: 117-33 (2016) Article DOI: 10.1016/j.ejmech.2015.11.015 BindingDB Entry DOI: 10.7270/Q2NK3GWZ
					More data for this Ligand-Target Pair