Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50037426'   

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))	BDBM50037426 (CHEMBL25976 | N-{3-[(E)-2-(1,3,7-Trimethyl-2,6-dio...) Show SMILES Cn1c(\C=C\c2cccc(NC(=O)CCC(O)=O)c2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C20H21N5O5/c1-23-14(22-18-17(23)19(29)25(3)20(30)24(18)2)8-7-12-5-4-6-13(11-12)21-15(26)9-10-16(27)28/h4-8,11H,9-10H2,1-3H3,(H,21,26)(H,27,28)/b8-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [3H]-PIA from adenosine A1 receptors of rat brain membrane				J Med Chem 37: 3373-82 (1994) BindingDB Entry DOI: 10.7270/Q28914WW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50037426 (CHEMBL25976 | N-{3-[(E)-2-(1,3,7-Trimethyl-2,6-dio...) Show SMILES Cn1c(\C=C\c2cccc(NC(=O)CCC(O)=O)c2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C20H21N5O5/c1-23-14(22-18-17(23)19(29)25(3)20(30)24(18)2)8-7-12-5-4-6-13(11-12)21-15(26)9-10-16(27)28/h4-8,11H,9-10H2,1-3H3,(H,21,26)(H,27,28)/b8-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.51E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand				J Med Chem 36: 1333-42 (1993) BindingDB Entry DOI: 10.7270/Q2BV7FPB
					More data for this Ligand-Target Pair