Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50494583'   

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))	BDBM50494583 (CHEMBL3093332) Show SMILES COc1cc(OC)cc(c1)N1CCCn2c1nc1n(C)c(=O)n(CC#C)c(=O)c21 Show InChI InChI=1S/C20H21N5O4/c1-5-7-25-18(26)16-17(22(2)20(25)27)21-19-23(8-6-9-24(16)19)13-10-14(28-3)12-15(11-13)29-4/h1,10-12H,6-9H2,2-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	228	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex				Bioorg Med Chem 21: 7435-52 (2013) Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50494583 (CHEMBL3093332) Show SMILES COc1cc(OC)cc(c1)N1CCCn2c1nc1n(C)c(=O)n(CC#C)c(=O)c21 Show InChI InChI=1S/C20H21N5O4/c1-5-7-25-18(26)16-17(22(2)20(25)27)21-19-23(8-6-9-24(16)19)13-10-14(28-3)12-15(11-13)29-4/h1,10-12H,6-9H2,2-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 21: 7435-52 (2013) Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF
					More data for this Ligand-Target Pair