Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50152224'   

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))	BDBM50152224 (CHEMBL359641 | N*5*-[(R)-1-(2-Chloro-benzyl)-pyrro...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccccc2Cl)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H21ClN8O/c21-15-7-2-1-5-13(15)12-28-9-3-6-14(28)11-23-19-25-18(22)29-20(26-19)24-17(27-29)16-8-4-10-30-16/h1-2,4-5,7-8,10,14H,3,6,9,11-12H2,(H3,22,23,24,25,26,27)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue				J Med Chem 48: 2009-18 (2005) Article DOI: 10.1021/jm0498396 BindingDB Entry DOI: 10.7270/Q2NZ88FB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50152224 (CHEMBL359641 | N*5*-[(R)-1-(2-Chloro-benzyl)-pyrro...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccccc2Cl)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H21ClN8O/c21-15-7-2-1-5-13(15)12-28-9-3-6-14(28)11-23-19-25-18(22)29-20(26-19)24-17(27-29)16-8-4-10-30-16/h1-2,4-5,7-8,10,14H,3,6,9,11-12H2,(H3,22,23,24,25,26,27)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2a receptor from rat brain tissue was determined using [3H]-ZM-241,385 as radioligand				Bioorg Med Chem Lett 14: 4831-4 (2004) Article DOI: 10.1016/j.bmcl.2004.07.047 BindingDB Entry DOI: 10.7270/Q2CJ8CZP
					More data for this Ligand-Target Pair