Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50315853'   

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))	BDBM50315853 (6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahy...) Show SMILES Nc1sc2CN(CCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C37H41Cl2N7O6S/c38-25-11-6-21(16-26(25)39)31(48)29-24-12-14-45(17-28(24)53-34(29)40)13-4-2-1-3-5-15-51-23-9-7-22(8-10-23)44-35-30-36(42-19-41-35)46(20-43-30)37-33(50)32(49)27(18-47)52-37/h6-11,16,19-20,27,32-33,37,47,49-50H,1-5,12-15,17-18,40H2,(H,41,42,44)/t27-,32-,33-,37-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	347	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting in presence of 10 uM allosteric modulator ...				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315853 (6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahy...) Show SMILES Nc1sc2CN(CCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C37H41Cl2N7O6S/c38-25-11-6-21(16-26(25)39)31(48)29-24-12-14-45(17-28(24)53-34(29)40)13-4-2-1-3-5-15-51-23-9-7-22(8-10-23)44-35-30-36(42-19-41-35)46(20-43-30)37-33(50)32(49)27(18-47)52-37/h6-11,16,19-20,27,32-33,37,47,49-50H,1-5,12-15,17-18,40H2,(H,41,42,44)/t27-,32-,33-,37-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair