Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50080288'   

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 (Homo sapiens (Human))	BDBM50080288 (CHEMBL81616 | N-[2-(5,6-Dimethyl-2-phenyl-7H-pyrro...) Show SMILES CC(=O)NCCNc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1 Show InChI InChI=1S/C18H21N5O/c1-11-12(2)21-18-15(11)17(20-10-9-19-13(3)24)22-16(23-18)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,19,24)(H2,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cadus Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against binding of the [3H]-CGS-21,680 to human A2a receptor (hA2a) radioligands using competition binding assay				Bioorg Med Chem Lett 9: 2413-8 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V5N
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50080288 (CHEMBL81616 | N-[2-(5,6-Dimethyl-2-phenyl-7H-pyrro...) Show SMILES CC(=O)NCCNc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1 Show InChI InChI=1S/C18H21N5O/c1-11-12(2)21-18-15(11)17(20-10-9-19-13(3)24)22-16(23-18)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,19,24)(H2,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Cadus Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against binding of [3H]-CGS-21,680 to human A2a receptor (hA2a) using competition binding assay				Bioorg Med Chem Lett 9: 2413-8 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V5N
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50080288 (CHEMBL81616 | N-[2-(5,6-Dimethyl-2-phenyl-7H-pyrro...) Show SMILES CC(=O)NCCNc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1 Show InChI InChI=1S/C18H21N5O/c1-11-12(2)21-18-15(11)17(20-10-9-19-13(3)24)22-16(23-18)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,19,24)(H2,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Cadus Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against binding of [3H]-CGS-21,680 to human A2a receptor (hA2a) using competition binding assay				Bioorg Med Chem Lett 9: 2413-8 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V5N
					More data for this Ligand-Target Pair