Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50053933'   

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 (Rattus norvegicus (rat))	BDBM50053933 (CHEMBL100195 | [3-(9-Chloro-2-furan-2-yl-[1,2,4]tr...) Show SMILES CC(C)(C)OC(=O)NCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H23ClN6O4/c1-22(2,3)33-21(31)24-10-4-7-17(30)26-20-25-15-9-8-13(23)12-14(15)19-27-18(28-29(19)20)16-6-5-11-32-16/h5-6,8-9,11-12H,4,7,10H2,1-3H3,(H,24,31)(H,25,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.9	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 Binding affinity was determined in radioligand binding assay at rat striatal Adenosine A2A receptor vs [3H]-CGS- 21680				J Med Chem 41: 2835-45 (1998) Article DOI: 10.1021/jm980094b BindingDB Entry DOI: 10.7270/Q25Q4V7D
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50053933 (CHEMBL100195 | [3-(9-Chloro-2-furan-2-yl-[1,2,4]tr...) Show SMILES CC(C)(C)OC(=O)NCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H23ClN6O4/c1-22(2,3)33-21(31)24-10-4-7-17(30)26-20-25-15-9-8-13(23)12-14(15)19-27-18(28-29(19)20)16-6-5-11-32-16/h5-6,8-9,11-12H,4,7,10H2,1-3H3,(H,24,31)(H,25,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	135	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]-CGH 21680 from Adenosine A2A receptor of rat striatal membranes				J Med Chem 39: 4142-8 (1996) Article DOI: 10.1021/jm960482i BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
					More data for this Ligand-Target Pair