Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a/A2b' and Ligand = 'BDBM50007836'   

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 A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50007836 (CHEMBL56251 | N-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)NC(C)=O |(1.85,-15.93,;1.85,-14.38,;3.18,-13.61,;3.18,-12.05,;4.53,-11.28,;6.01,-11.76,;6.92,-10.5,;6.01,-9.23,;4.53,-9.72,;3.18,-8.93,;3.18,-7.37,;1.84,-9.72,;.48,-8.93,;.48,-7.37,;-.88,-6.58,;1.84,-11.28,;.46,-12.08,;8.32,-10.5,;9.02,-9.29,;10.42,-9.29,;11.13,-10.5,;10.42,-11.71,;9.02,-11.71,;12.53,-10.5,;13.23,-9.29,;14.63,-9.29,;12.53,-8.06,)| Show InChI InChI=1S/C19H29N5O3/c1-4-10-23-17-15(18(26)24(11-5-2)19(23)27)21-16(22-17)13-6-8-14(9-7-13)20-12(3)25/h13-14H,4-11H2,1-3H3,(H,20,25)(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity against adenosine A1 receptor in human platelets				J Med Chem 33: 1906-10 (1990) BindingDB Entry DOI: 10.7270/Q22F7MD6
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50007836 (CHEMBL56251 | N-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)NC(C)=O |(1.85,-15.93,;1.85,-14.38,;3.18,-13.61,;3.18,-12.05,;4.53,-11.28,;6.01,-11.76,;6.92,-10.5,;6.01,-9.23,;4.53,-9.72,;3.18,-8.93,;3.18,-7.37,;1.84,-9.72,;.48,-8.93,;.48,-7.37,;-.88,-6.58,;1.84,-11.28,;.46,-12.08,;8.32,-10.5,;9.02,-9.29,;10.42,-9.29,;11.13,-10.5,;10.42,-11.71,;9.02,-11.71,;12.53,-10.5,;13.23,-9.29,;14.63,-9.29,;12.53,-8.06,)| Show InChI InChI=1S/C19H29N5O3/c1-4-10-23-17-15(18(26)24(11-5-2)19(23)27)21-16(22-17)13-6-8-14(9-7-13)20-12(3)25/h13-14H,4-11H2,1-3H3,(H,20,25)(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity against adenosine A1 receptor in human platelets				J Med Chem 33: 1906-10 (1990) BindingDB Entry DOI: 10.7270/Q22F7MD6
					More data for this Ligand-Target Pair