Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50051242'   

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))	BDBM50051242 (8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]tria...) Show SMILES CCCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C14H15N7O/c1-2-3-6-20-8-9-11(18-20)17-14(15)21-13(9)16-12(19-21)10-5-4-7-22-10/h4-5,7-8H,2-3,6H2,1H3,(H2,15,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells; range 11-17				J Med Chem 43: 4768-80 (2000) BindingDB Entry DOI: 10.7270/Q2D21WWT
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50051242 (8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]tria...) Show SMILES CCCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C14H15N7O/c1-2-3-6-20-8-9-11(18-20)17-14(15)21-13(9)16-12(19-21)10-5-4-7-22-10/h4-5,7-8H,2-3,6H2,1H3,(H2,15,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	30.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding ability of adenosine A1 receptor by using [3H]-CHA as radioligand in rat whole brain homogenate				Bioorg Med Chem Lett 4: 2539-2544 (1994) Article DOI: 10.1016/S0960-894X(01)80279-1 BindingDB Entry DOI: 10.7270/Q2Q81D1P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50051242 (8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]tria...) Show SMILES CCCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C14H15N7O/c1-2-3-6-20-8-9-11(18-20)17-14(15)21-13(9)16-12(19-21)10-5-4-7-22-10/h4-5,7-8H,2-3,6H2,1H3,(H2,15,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.				J Med Chem 39: 1164-71 (1996) Article DOI: 10.1021/jm950746l BindingDB Entry DOI: 10.7270/Q2NP23H4
					More data for this Ligand-Target Pair