Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50119150'   

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))	BDBM50119150 ((2R,3R,4S,5R)-2-[6-Amino-2-(1-pentyl-1H-pyrazol-4-...) Show SMILES CCCCCn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C18H25N7O4/c1-2-3-4-5-24-7-10(6-21-24)16-22-15(19)12-17(23-16)25(9-20-12)18-14(28)13(27)11(8-26)29-18/h6-7,9,11,13-14,18,26-28H,2-5,8H2,1H3,(H2,19,22,23)/t11-,13-,14-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50119150 ((2R,3R,4S,5R)-2-[6-Amino-2-(1-pentyl-1H-pyrazol-4-...) Show SMILES CCCCCn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C18H25N7O4/c1-2-3-4-5-24-7-10(6-21-24)16-22-15(19)12-17(23-16)25(9-20-12)18-14(28)13(27)11(8-26)29-18/h6-7,9,11,13-14,18,26-28H,2-5,8H2,1H3,(H2,19,22,23)/t11-,13-,14-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair