Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50453038'   

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))	BDBM50453038 (CHEMBL2092765) Show SMILES COc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H23N5O5/c1-29-11-3-4-12-10(6-11)2-5-13(12)24-18-15-19(22-8-21-18)25(9-23-15)20-17(28)16(27)14(7-26)30-20/h3-4,6,8-9,13-14,16-17,20,26-28H,2,5,7H2,1H3,(H,21,22,24)/t13?,14-,16-,17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	41.7	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 towards adenosine A1 receptor				J Med Chem 34: 1043-9 (1991) BindingDB Entry DOI: 10.7270/Q2HT2PW7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453038 (CHEMBL2092765) Show SMILES COc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H23N5O5/c1-29-11-3-4-12-10(6-11)2-5-13(12)24-18-15-19(22-8-21-18)25(9-23-15)20-17(28)16(27)14(7-26)30-20/h3-4,6,8-9,13-14,16-17,20,26-28H,2,5,7H2,1H3,(H,21,22,24)/t13?,14-,16-,17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	236	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 towards adenosine A1 receptor				J Med Chem 34: 1043-9 (1991) BindingDB Entry DOI: 10.7270/Q2HT2PW7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453038 (CHEMBL2092765) Show SMILES COc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H23N5O5/c1-29-11-3-4-12-10(6-11)2-5-13(12)24-18-15-19(22-8-21-18)25(9-23-15)20-17(28)16(27)14(7-26)30-20/h3-4,6,8-9,13-14,16-17,20,26-28H,2,5,7H2,1H3,(H,21,22,24)/t13?,14-,16-,17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	236	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 towards adenosine A1 receptor				J Med Chem 34: 1043-9 (1991) BindingDB Entry DOI: 10.7270/Q2HT2PW7
					More data for this Ligand-Target Pair