Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50534166'   

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))	BDBM50534166 (CHEMBL4560229) Show SMILES Cn1c2nc3CN(Cc4ccccc4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H19N5O2/c1-19-15-14(16(23)20(2)17(19)24)22-9-8-21(11-13(22)18-15)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	79	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 rat A1 receptor by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50534166 (CHEMBL4560229) Show SMILES Cn1c2nc3CN(Cc4ccccc4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H19N5O2/c1-19-15-14(16(23)20(2)17(19)24)22-9-8-21(11-13(22)18-15)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	265	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 A1 receptor expressed in CHO cell membrane by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50534166 (CHEMBL4560229) Show SMILES Cn1c2nc3CN(Cc4ccccc4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H19N5O2/c1-19-15-14(16(23)20(2)17(19)24)22-9-8-21(11-13(22)18-15)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	598	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]MSX from rat A1 receptor measured after 75 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair