Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50369097'   

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))	BDBM50369097 (CHEMBL604851) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCc1ccccc1 |r| Show InChI InChI=1S/C21H22N6O4/c1-2-23-20(30)17-15(28)16(29)21(31-17)27-11-24-14-18(22)25-13(26-19(14)27)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11,15-17,21,28-29H,2,9H2,1H3,(H,23,30)(H2,22,25,26)/t15-,16+,17-,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity against adenosine A2a receptor from rat striatum using [3H]-CGS- 21680 as a radioligand.				J Med Chem 38: 1462-72 (1995) BindingDB Entry DOI: 10.7270/Q2R78FWX
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50369097 (CHEMBL604851) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCc1ccccc1 |r| Show InChI InChI=1S/C21H22N6O4/c1-2-23-20(30)17-15(28)16(29)21(31-17)27-11-24-14-18(22)25-13(26-19(14)27)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11,15-17,21,28-29H,2,9H2,1H3,(H,23,30)(H2,22,25,26)/t15-,16+,17-,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2A receptor in rat brain striatum				J Med Chem 44: 531-9 (2001) BindingDB Entry DOI: 10.7270/Q20Z740K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50369097 (CHEMBL604851) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCc1ccccc1 |r| Show InChI InChI=1S/C21H22N6O4/c1-2-23-20(30)17-15(28)16(29)21(31-17)27-11-24-14-18(22)25-13(26-19(14)27)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11,15-17,21,28-29H,2,9H2,1H3,(H,23,30)(H2,22,25,26)/t15-,16+,17-,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	406	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Functional activity against adenosine A2a receptor from rat aorta.				J Med Chem 38: 1462-72 (1995) BindingDB Entry DOI: 10.7270/Q2R78FWX
					More data for this Ligand-Target Pair