Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50091117'   

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 (BOVINE)	BDBM50091117 (2-Phenyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine | 2-...) Show SMILES Nc1nc2ccccc2c2cn(nc12)-c1ccccc1 Show InChI InChI=1S/C16H12N4/c17-16-15-13(12-8-4-5-9-14(12)18-16)10-20(19-15)11-6-2-1-3-7-11/h1-10H,(H2,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	69.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' di Firenze Curated by ChEMBL					Assay Description Displacement of specific [3H]-CHA binding at adenosine A1 receptor in bovine brain membranes				J Med Chem 43: 3118-24 (2000) BindingDB Entry DOI: 10.7270/Q28S4P52
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50091117 (2-Phenyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine | 2-...) Show SMILES Nc1nc2ccccc2c2cn(nc12)-c1ccccc1 Show InChI InChI=1S/C16H12N4/c17-16-15-13(12-8-4-5-9-14(12)18-16)10-20(19-15)11-6-2-1-3-7-11/h1-10H,(H2,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	659	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO cell membranes by scintillation counting				Bioorg Med Chem 19: 3757-68 (2011) Article DOI: 10.1016/j.bmc.2011.05.001 BindingDB Entry DOI: 10.7270/Q2QN6736
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50091117 (2-Phenyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine | 2-...) Show SMILES Nc1nc2ccccc2c2cn(nc12)-c1ccccc1 Show InChI InChI=1S/C16H12N4/c17-16-15-13(12-8-4-5-9-14(12)18-16)10-20(19-15)11-6-2-1-3-7-11/h1-10H,(H2,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	659	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 50: 4061-74 (2007) Article DOI: 10.1021/jm070123v BindingDB Entry DOI: 10.7270/Q2JM29BR
					More data for this Ligand-Target Pair