Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50315861'   

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))	BDBM50315861 (CHEMBL1090683 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCCOc3ccc(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/C35H37Cl2N7O6S/c36-23-9-4-19(14-24(23)37)29(46)27-22-10-12-43(15-26(22)51-32(27)38)11-2-1-3-13-49-21-7-5-20(6-8-21)42-33-28-34(40-17-39-33)44(18-41-28)35-31(48)30(47)25(16-45)50-35/h4-9,14,17-18,25,30-31,35,45,47-48H,1-3,10-13,15-16,38H2,(H,39,40,42)/t25-,30-,31-,35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	114	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))	BDBM50315861 (CHEMBL1090683 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCCOc3ccc(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/C35H37Cl2N7O6S/c36-23-9-4-19(14-24(23)37)29(46)27-22-10-12-43(15-26(22)51-32(27)38)11-2-1-3-13-49-21-7-5-20(6-8-21)42-33-28-34(40-17-39-33)44(18-41-28)35-31(48)30(47)25(16-45)50-35/h4-9,14,17-18,25,30-31,35,45,47-48H,1-3,10-13,15-16,38H2,(H,39,40,42)/t25-,30-,31-,35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	214	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))	BDBM50315861 (CHEMBL1090683 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCCOc3ccc(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/C35H37Cl2N7O6S/c36-23-9-4-19(14-24(23)37)29(46)27-22-10-12-43(15-26(22)51-32(27)38)11-2-1-3-13-49-21-7-5-20(6-8-21)42-33-28-34(40-17-39-33)44(18-41-28)35-31(48)30(47)25(16-45)50-35/h4-9,14,17-18,25,30-31,35,45,47-48H,1-3,10-13,15-16,38H2,(H,39,40,42)/t25-,30-,31-,35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	89	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Agonist activity at human adenosine A1 receptor expressed in CHO cells assessed as stimulation of ERK1/2 phosphorylation in presence of 10 uM alloste...				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))	BDBM50315861 (CHEMBL1090683 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCCOc3ccc(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/C35H37Cl2N7O6S/c36-23-9-4-19(14-24(23)37)29(46)27-22-10-12-43(15-26(22)51-32(27)38)11-2-1-3-13-49-21-7-5-20(6-8-21)42-33-28-34(40-17-39-33)44(18-41-28)35-31(48)30(47)25(16-45)50-35/h4-9,14,17-18,25,30-31,35,45,47-48H,1-3,10-13,15-16,38H2,(H,39,40,42)/t25-,30-,31-,35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	156	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Agonist activity at human adenosine A1 receptor expressed in CHO cells assessed as stimulation of ERK1/2 phosphorylation				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))	BDBM50315861 (CHEMBL1090683 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCCOc3ccc(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/C35H37Cl2N7O6S/c36-23-9-4-19(14-24(23)37)29(46)27-22-10-12-43(15-26(22)51-32(27)38)11-2-1-3-13-49-21-7-5-20(6-8-21)42-33-28-34(40-17-39-33)44(18-41-28)35-31(48)30(47)25(16-45)50-35/h4-9,14,17-18,25,30-31,35,45,47-48H,1-3,10-13,15-16,38H2,(H,39,40,42)/t25-,30-,31-,35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	273	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Agonist activity at human adenosine A1 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding 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))	BDBM50315861 (CHEMBL1090683 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCCOc3ccc(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/C35H37Cl2N7O6S/c36-23-9-4-19(14-24(23)37)29(46)27-22-10-12-43(15-26(22)51-32(27)38)11-2-1-3-13-49-21-7-5-20(6-8-21)42-33-28-34(40-17-39-33)44(18-41-28)35-31(48)30(47)25(16-45)50-35/h4-9,14,17-18,25,30-31,35,45,47-48H,1-3,10-13,15-16,38H2,(H,39,40,42)/t25-,30-,31-,35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	52	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Agonist activity at human adenosine A1 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting in presence of 10...				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