Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50367409'   

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 (Rattus norvegicus (rat))	BDBM50367409 (CHEMBL606505) Show SMILES CC(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27N5O4/c1-25(16-8-4-2-5-9-16,17-10-6-3-7-11-17)13-26-22-19-23(28-14-27-22)30(15-29-19)24-21(33)20(32)18(12-31)34-24/h2-11,14-15,18,20-21,24,31-33H,12-13H2,1H3,(H,26,27,28)/t18-,20-,21-,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity at adenosine A1 receptor from rat brain membranes by [3H]N6-cyclohexyladenosine displacement.				J Med Chem 31: 1282-5 (1988) BindingDB Entry DOI: 10.7270/Q2KK9CCN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50367409 (CHEMBL606505) Show SMILES CC(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27N5O4/c1-25(16-8-4-2-5-9-16,17-10-6-3-7-11-17)13-26-22-19-23(28-14-27-22)30(15-29-19)24-21(33)20(32)18(12-31)34-24/h2-11,14-15,18,20-21,24,31-33H,12-13H2,1H3,(H,26,27,28)/t18-,20-,21-,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor in rat whole brain membranes by [3H]N6-cyclohexyladenosine displacement.				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair