Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50094692'   

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))	BDBM50094692 (1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...) Show SMILES Clc1cccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)c1 Show InChI InChI=1S/C20H12Cl2N6O2/c21-11-3-1-4-13(9-11)23-20(29)26-19-24-15-7-6-12(22)10-14(15)18-25-17(27-28(18)19)16-5-2-8-30-16/h1-10H,(H2,23,24,26,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 0.13-0.27				J Med Chem 43: 4768-80 (2000) BindingDB Entry DOI: 10.7270/Q2D21WWT
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50094692 (1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...) Show SMILES Clc1cccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)c1 Show InChI InChI=1S/C20H12Cl2N6O2/c21-11-3-1-4-13(9-11)23-20(29)26-19-24-15-7-6-12(22)10-14(15)18-25-17(27-28(18)19)16-5-2-8-30-16/h1-10H,(H2,23,24,26,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of [3]-MRE-3008F20 from human Adenosine A3 receptor expressed in CHO cells				J Med Chem 45: 770-80 (2002) BindingDB Entry DOI: 10.7270/Q27W6BHW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50094692 (1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...) Show SMILES Clc1cccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)c1 Show InChI InChI=1S/C20H12Cl2N6O2/c21-11-3-1-4-13(9-11)23-20(29)26-19-24-15-7-6-12(22)10-14(15)18-25-17(27-28(18)19)16-5-2-8-30-16/h1-10H,(H2,23,24,26,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Padova Curated by ChEMBL					Assay Description Binding affinity for human adenosine A3 receptor				J Med Chem 48: 152-62 (2005) Article DOI: 10.1021/jm049662f BindingDB Entry DOI: 10.7270/Q2183609
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50094692 (1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...) Show SMILES Clc1cccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)c1 Show InChI InChI=1S/C20H12Cl2N6O2/c21-11-3-1-4-13(9-11)23-20(29)26-19-24-15-7-6-12(22)10-14(15)18-25-17(27-28(18)19)16-5-2-8-30-16/h1-10H,(H2,23,24,26,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins				Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50094692 (1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...) Show SMILES Clc1cccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)c1 Show InChI InChI=1S/C20H12Cl2N6O2/c21-11-3-1-4-13(9-11)23-20(29)26-19-24-15-7-6-12(22)10-14(15)18-25-17(27-28(18)19)16-5-2-8-30-16/h1-10H,(H2,23,24,26,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of cAMP accumulation in CHO cells expressing human adenosine A3 receptor				J Med Chem 43: 4768-80 (2000) BindingDB Entry DOI: 10.7270/Q2D21WWT
					More data for this Ligand-Target Pair