Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50375488'   

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))	BDBM50375488 (CHEMBL260396) Show SMILES O=C(Nc1nc(nc(-c2ccc3OCOc3c2)c1C#N)-c1ccccc1)C1CCCC1 Show InChI InChI=1S/C24H20N4O3/c25-13-18-21(17-10-11-19-20(12-17)31-14-30-19)26-22(15-6-2-1-3-7-15)27-23(18)28-24(29)16-8-4-5-9-16/h1-3,6-7,10-12,16H,4-5,8-9,14H2,(H,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 2741-52 (2008) Article DOI: 10.1016/j.bmc.2008.01.013 BindingDB Entry DOI: 10.7270/Q2K35VHW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50375488 (CHEMBL260396) Show SMILES O=C(Nc1nc(nc(-c2ccc3OCOc3c2)c1C#N)-c1ccccc1)C1CCCC1 Show InChI InChI=1S/C24H20N4O3/c25-13-18-21(17-10-11-19-20(12-17)31-14-30-19)26-22(15-6-2-1-3-7-15)27-23(18)28-24(29)16-8-4-5-9-16/h1-3,6-7,10-12,16H,4-5,8-9,14H2,(H,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from A1 adenosine receptor (unknown origin) expressed in CHO cell membrane incubated for 60 mins at room temperature by NXT...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50375488 (CHEMBL260396) Show SMILES O=C(Nc1nc(nc(-c2ccc3OCOc3c2)c1C#N)-c1ccccc1)C1CCCC1 Show InChI InChI=1S/C24H20N4O3/c25-13-18-21(17-10-11-19-20(12-17)31-14-30-19)26-22(15-6-2-1-3-7-15)27-23(18)28-24(29)16-8-4-5-9-16/h1-3,6-7,10-12,16H,4-5,8-9,14H2,(H,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Activity at human adenosine A1 receptor expressed in CHO cells assessed as inhibition of CPA-induced decrease in forskolin-stimulated cAMP production...				Bioorg Med Chem 16: 2741-52 (2008) Article DOI: 10.1016/j.bmc.2008.01.013 BindingDB Entry DOI: 10.7270/Q2K35VHW
					More data for this Ligand-Target Pair