Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50210809'   

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))	BDBM50210809 (CHEMBL3951351) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccc(O)c(Cl)c2)c(n1)-c1ccccc1 |r,wU:4.7,wD:1.0,(25.81,-7.65,;24.48,-8.43,;23.14,-7.67,;21.81,-8.45,;21.83,-9.99,;23.17,-10.75,;24.49,-9.97,;20.5,-10.77,;20.51,-12.31,;21.85,-13.07,;21.86,-14.61,;20.53,-15.39,;20.54,-16.93,;21.88,-17.69,;21.9,-19.23,;20.57,-20.01,;20.58,-21.55,;19.24,-19.25,;17.9,-20.04,;19.22,-17.71,;19.2,-14.63,;19.19,-13.09,;17.87,-15.42,;16.52,-14.65,;15.2,-15.43,;15.21,-16.97,;16.55,-17.73,;17.88,-16.96,)| Show InChI InChI=1S/C22H22ClN3O2/c23-19-12-15(6-11-20(19)28)18-13-24-22(25-16-7-9-17(27)10-8-16)26-21(18)14-4-2-1-3-5-14/h1-6,11-13,16-17,27-28H,7-10H2,(H,24,25,26)/t16-,17-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.550	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]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210809 (CHEMBL3951351) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccc(O)c(Cl)c2)c(n1)-c1ccccc1 |r,wU:4.7,wD:1.0,(25.81,-7.65,;24.48,-8.43,;23.14,-7.67,;21.81,-8.45,;21.83,-9.99,;23.17,-10.75,;24.49,-9.97,;20.5,-10.77,;20.51,-12.31,;21.85,-13.07,;21.86,-14.61,;20.53,-15.39,;20.54,-16.93,;21.88,-17.69,;21.9,-19.23,;20.57,-20.01,;20.58,-21.55,;19.24,-19.25,;17.9,-20.04,;19.22,-17.71,;19.2,-14.63,;19.19,-13.09,;17.87,-15.42,;16.52,-14.65,;15.2,-15.43,;15.21,-16.97,;16.55,-17.73,;17.88,-16.96,)| Show InChI InChI=1S/C22H22ClN3O2/c23-19-12-15(6-11-20(19)28)18-13-24-22(25-16-7-9-17(27)10-8-16)26-21(18)14-4-2-1-3-5-14/h1-6,11-13,16-17,27-28H,7-10H2,(H,24,25,26)/t16-,17-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113907 BindingDB Entry DOI: 10.7270/Q20K2DJC
					More data for this Ligand-Target Pair