Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50315856'   

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))	BDBM50315856 (CHEMBL1090688 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCCCCCCCOc3ccc(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/C40H47Cl2N7O6S/c41-28-14-9-24(19-29(28)42)34(51)32-27-15-17-48(20-31(27)56-37(32)43)16-7-5-3-1-2-4-6-8-18-54-26-12-10-25(11-13-26)47-38-33-39(45-22-44-38)49(23-46-33)40-36(53)35(52)30(21-50)55-40/h9-14,19,22-23,30,35-36,40,50,52-53H,1-8,15-18,20-21,43H2,(H,44,45,47)/t30-,35-,36-,40-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+3	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
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315856 (CHEMBL1090688 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCCCCCCCOc3ccc(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/C40H47Cl2N7O6S/c41-28-14-9-24(19-29(28)42)34(51)32-27-15-17-48(20-31(27)56-37(32)43)16-7-5-3-1-2-4-6-8-18-54-26-12-10-25(11-13-26)47-38-33-39(45-22-44-38)49(23-46-33)40-36(53)35(52)30(21-50)55-40/h9-14,19,22-23,30,35-36,40,50,52-53H,1-8,15-18,20-21,43H2,(H,44,45,47)/t30-,35-,36-,40-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.36E+3	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