Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50315859'   

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))	BDBM50315859 (CHEMBL1090681 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCOc3ccc(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/C33H33Cl2N7O6S/c34-21-7-2-17(12-22(21)35)27(44)25-20-8-10-41(13-24(20)49-30(25)36)9-1-11-47-19-5-3-18(4-6-19)40-31-26-32(38-15-37-31)42(16-39-26)33-29(46)28(45)23(14-43)48-33/h2-7,12,15-16,23,28-29,33,43,45-46H,1,8-11,13-14,36H2,(H,37,38,40)/t23-,28-,29-,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	268	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))	BDBM50315859 (CHEMBL1090681 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCOc3ccc(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/C33H33Cl2N7O6S/c34-21-7-2-17(12-22(21)35)27(44)25-20-8-10-41(13-24(20)49-30(25)36)9-1-11-47-19-5-3-18(4-6-19)40-31-26-32(38-15-37-31)42(16-39-26)33-29(46)28(45)23(14-43)48-33/h2-7,12,15-16,23,28-29,33,43,45-46H,1,8-11,13-14,36H2,(H,37,38,40)/t23-,28-,29-,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	417	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