Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50232154'   

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 (Homo sapiens (Human))	BDBM50232154 (CHEMBL401321 | N-(2-(furan-2-yl)-6-(1H-pyrazol-1-y...) Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccco1)-n1cccn1 Show InChI InChI=1S/C13H11N5O2/c1-9(19)15-11-8-12(18-6-3-5-14-18)17-13(16-11)10-4-2-7-20-10/h2-8H,1H3,(H,15,16,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Binding affinity at adenosine A1 receptor				Bioorg Med Chem Lett 18: 1778-83 (2008) Article DOI: 10.1016/j.bmcl.2008.02.032 BindingDB Entry DOI: 10.7270/Q2VD6Z62
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50232154 (CHEMBL401321 | N-(2-(furan-2-yl)-6-(1H-pyrazol-1-y...) Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccco1)-n1cccn1 Show InChI InChI=1S/C13H11N5O2/c1-9(19)15-11-8-12(18-6-3-5-14-18)17-13(16-11)10-4-2-7-20-10/h2-8H,1H3,(H,15,16,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX form human adenosine A1 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 5402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.048 BindingDB Entry DOI: 10.7270/Q28K78ZG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50232154 (CHEMBL401321 | N-(2-(furan-2-yl)-6-(1H-pyrazol-1-y...) Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccco1)-n1cccn1 Show InChI InChI=1S/C13H11N5O2/c1-9(19)15-11-8-12(18-6-3-5-14-18)17-13(16-11)10-4-2-7-20-10/h2-8H,1H3,(H,15,16,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293 cells				J Med Chem 51: 400-6 (2008) Article DOI: 10.1021/jm070623o BindingDB Entry DOI: 10.7270/Q2WH2PQ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50232154 (CHEMBL401321 | N-(2-(furan-2-yl)-6-(1H-pyrazol-1-y...) Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccco1)-n1cccn1 Show InChI InChI=1S/C13H11N5O2/c1-9(19)15-11-8-12(18-6-3-5-14-18)17-13(16-11)10-4-2-7-20-10/h2-8H,1H3,(H,15,16,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant adenosine A1 receptor				J Med Chem 57: 3623-50 (2014) Article DOI: 10.1021/jm4011669 BindingDB Entry DOI: 10.7270/Q28P621J
					More data for this Ligand-Target Pair