Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50231589'   

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))	BDBM50231589 (CHEMBL4073088) Show SMILES CCCn1c(Oc2cncc(Cl)c2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C18H20ClN5O2/c1-2-7-24-17(25)14-16(22-15(21-14)11-5-3-4-6-11)23-18(24)26-13-8-12(19)9-20-10-13/h8-11H,2-7H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated...				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231589 (CHEMBL4073088) Show SMILES CCCn1c(Oc2cncc(Cl)c2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C18H20ClN5O2/c1-2-7-24-17(25)14-16(22-15(21-14)11-5-3-4-6-11)23-18(24)26-13-8-12(19)9-20-10-13/h8-11H,2-7H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair