Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50385631'   

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))	BDBM50385631 (CHEMBL2043426) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)S(=O)(=O)CCc1ccc(cc1)S(O)(=O)=O |r| Show InChI InChI=1S/C18H21N5O9S2/c19-15-12-16(23(8-20-12)17-14(26)13(25)11(7-24)32-17)22-18(21-15)33(27,28)6-5-9-1-3-10(4-2-9)34(29,30)31/h1-4,8,11,13-14,17,24-26H,5-7H2,(H2,19,21,22)(H,29,30,31)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	545	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50385631 (CHEMBL2043426) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)S(=O)(=O)CCc1ccc(cc1)S(O)(=O)=O |r| Show InChI InChI=1S/C18H21N5O9S2/c19-15-12-16(23(8-20-12)17-14(26)13(25)11(7-24)32-17)22-18(21-15)33(27,28)6-5-9-1-3-10(4-2-9)34(29,30)31/h1-4,8,11,13-14,17,24-26H,5-7H2,(H2,19,21,22)(H,29,30,31)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair