Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50080291'   

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))	BDBM50080291 ((5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES Cc1[nH]c2nc(nc(NCc3ccncc3)c2c1C)-c1ccccc1 Show InChI InChI=1S/C20H19N5/c1-13-14(2)23-20-17(13)19(22-12-15-8-10-21-11-9-15)24-18(25-20)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H2,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	132	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cadus Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay				Bioorg Med Chem Lett 9: 2413-8 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V5N
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50080291 ((5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES Cc1[nH]c2nc(nc(NCc3ccncc3)c2c1C)-c1ccccc1 Show InChI InChI=1S/C20H19N5/c1-13-14(2)23-20-17(13)19(22-12-15-8-10-21-11-9-15)24-18(25-20)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H2,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	222	n/a	n/a	n/a	n/a	n/a	n/a
Cadus Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against binding of [3H]-DPCPX to human A1 receptor (hA1) using competition binding assay				Bioorg Med Chem Lett 9: 2413-8 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V5N
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50080291 ((5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES Cc1[nH]c2nc(nc(NCc3ccncc3)c2c1C)-c1ccccc1 Show InChI InChI=1S/C20H19N5/c1-13-14(2)23-20-17(13)19(22-12-15-8-10-21-11-9-15)24-18(25-20)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H2,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	262	n/a	n/a	n/a	n/a	n/a	n/a
Cadus Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against membranes from HEK293 cells stably expressing the human A2a receptor (hA2a)				Bioorg Med Chem Lett 9: 2413-8 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V5N
					More data for this Ligand-Target Pair