Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50491097'   

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))	BDBM50491097 (CHEMBL2377090) Show SMILES Nc1nc(nc2sc(Cc3ccccc3)cc12)-c1cccc(c1)C#N Show InChI InChI=1S/C20H14N4S/c21-12-14-7-4-8-15(9-14)19-23-18(22)17-11-16(25-20(17)24-19)10-13-5-2-1-3-6-13/h1-9,11H,10H2,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113907 BindingDB Entry DOI: 10.7270/Q20K2DJC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50491097 (CHEMBL2377090) Show SMILES Nc1nc(nc2sc(Cc3ccccc3)cc12)-c1cccc(c1)C#N Show InChI InChI=1S/C20H14N4S/c21-12-14-7-4-8-15(9-14)19-23-18(22)17-11-16(25-20(17)24-19)10-13-5-2-1-3-6-13/h1-9,11H,10H2,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2a receptor expressed in CHOK1 cells assessed as inhibition of NECA/forskolin-induced cAMP accumulation incub...				Bioorg Med Chem Lett 23: 2688-91 (2013) Article DOI: 10.1016/j.bmcl.2013.02.078 BindingDB Entry DOI: 10.7270/Q2222XPT
					More data for this Ligand-Target Pair