Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50112190'   

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 (Rattus norvegicus (rat))	BDBM50112190 (Benzo[1,3]dioxole-5-carboxylic acid [5-(6-cyclopen...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc2OCOc2c1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C23H26N6O6/c30-8-16-17(28-22(32)12-5-6-14-15(7-12)34-11-33-14)19(31)23(35-16)29-10-26-18-20(24-9-25-21(18)29)27-13-3-1-2-4-13/h5-7,9-10,13,16-17,19,23,30-31H,1-4,8,11H2,(H,28,32)(H,24,25,27)/t16-,17+,19-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Binding affinity at rat Adenosine A1 receptor in the absence of GTP				J Med Chem 45: 1845-52 (2002) BindingDB Entry DOI: 10.7270/Q20001DD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50112190 (Benzo[1,3]dioxole-5-carboxylic acid [5-(6-cyclopen...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc2OCOc2c1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C23H26N6O6/c30-8-16-17(28-22(32)12-5-6-14-15(7-12)34-11-33-14)19(31)23(35-16)29-10-26-18-20(24-9-25-21(18)29)27-13-3-1-2-4-13/h5-7,9-10,13,16-17,19,23,30-31H,1-4,8,11H2,(H,28,32)(H,24,25,27)/t16-,17+,19-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	443	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Binding affinity at human Adenosine A1 receptor expressed in CHO cells				J Med Chem 45: 1845-52 (2002) BindingDB Entry DOI: 10.7270/Q20001DD
					More data for this Ligand-Target Pair