Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50315858'   

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))	BDBM50315858 (CHEMBL1090680 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCOc3ccc(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/C32H31Cl2N7O6S/c33-20-6-1-16(11-21(20)34)26(43)24-19-7-8-40(12-23(19)48-29(24)35)9-10-46-18-4-2-17(3-5-18)39-30-25-31(37-14-36-30)41(15-38-25)32-28(45)27(44)22(13-42)47-32/h1-6,11,14-15,22,27-28,32,42,44-45H,7-10,12-13,35H2,(H,36,37,39)/t22-,27-,28-,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	469	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))	BDBM50315858 (CHEMBL1090680 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCOc3ccc(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/C32H31Cl2N7O6S/c33-20-6-1-16(11-21(20)34)26(43)24-19-7-8-40(12-23(19)48-29(24)35)9-10-46-18-4-2-17(3-5-18)39-30-25-31(37-14-36-30)41(15-38-25)32-28(45)27(44)22(13-42)47-32/h1-6,11,14-15,22,27-28,32,42,44-45H,7-10,12-13,35H2,(H,36,37,39)/t22-,27-,28-,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	741	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