Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50231594'   

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))	BDBM50231594 (CHEMBL4065762) Show SMILES CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(OC)c1 Show InChI InChI=1S/C20H24N4O2/c1-3-11-24-19(14-9-6-10-15(12-14)26-2)23-18-16(20(24)25)21-17(22-18)13-7-4-5-8-13/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	15	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))	BDBM50231594 (CHEMBL4065762) Show SMILES CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(OC)c1 Show InChI InChI=1S/C20H24N4O2/c1-3-11-24-19(14-9-6-10-15(12-14)26-2)23-18-16(20(24)25)21-17(22-18)13-7-4-5-8-13/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113907 BindingDB Entry DOI: 10.7270/Q20K2DJC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231594 (CHEMBL4065762) Show SMILES CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(OC)c1 Show InChI InChI=1S/C20H24N4O2/c1-3-11-24-19(14-9-6-10-15(12-14)26-2)23-18-16(20(24)25)21-17(22-18)13-7-4-5-8-13/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	16	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