Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50151188'   

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))	BDBM50151188 (5-(4-((5-chloro-1-methyl-3-(trifluoromethyl)-1H-py...) Show SMILES Cn1nc(c(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)c1Cl)C(F)(F)F Show InChI InChI=1S/C18H18ClF3N10O/c1-29-13(19)10(12(27-29)18(20,21)22)9-30-4-6-31(7-5-30)16-25-15(23)32-17(26-16)24-14(28-32)11-3-2-8-33-11/h2-3,8H,4-7,9H2,1H3,(H2,23,24,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	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-241,385 binidng to rat brain adenosine A2a receptor				J Med Chem 47: 4291-9 (2004) Article DOI: 10.1021/jm0498405 BindingDB Entry DOI: 10.7270/Q2805235
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50151188 (5-(4-((5-chloro-1-methyl-3-(trifluoromethyl)-1H-py...) Show SMILES Cn1nc(c(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)c1Cl)C(F)(F)F Show InChI InChI=1S/C18H18ClF3N10O/c1-29-13(19)10(12(27-29)18(20,21)22)9-30-4-6-31(7-5-30)16-25-15(23)32-17(26-16)24-14(28-32)11-3-2-8-33-11/h2-3,8H,4-7,9H2,1H3,(H2,23,24,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane				J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50151188 (5-(4-((5-chloro-1-methyl-3-(trifluoromethyl)-1H-py...) Show SMILES Cn1nc(c(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)c1Cl)C(F)(F)F Show InChI InChI=1S/C18H18ClF3N10O/c1-29-13(19)10(12(27-29)18(20,21)22)9-30-4-6-31(7-5-30)16-25-15(23)32-17(26-16)24-14(28-32)11-3-2-8-33-11/h2-3,8H,4-7,9H2,1H3,(H2,23,24,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	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.2022.114378 BindingDB Entry DOI: 10.7270/Q2377DQ0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50151188 (5-(4-((5-chloro-1-methyl-3-(trifluoromethyl)-1H-py...) Show SMILES Cn1nc(c(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)c1Cl)C(F)(F)F Show InChI InChI=1S/C18H18ClF3N10O/c1-29-13(19)10(12(27-29)18(20,21)22)9-30-4-6-31(7-5-30)16-25-15(23)32-17(26-16)24-14(28-32)11-3-2-8-33-11/h2-3,8H,4-7,9H2,1H3,(H2,23,24,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Selectivity for recombinant human adenosine A2a receptor				J Med Chem 47: 4291-9 (2004) Article DOI: 10.1021/jm0498405 BindingDB Entry DOI: 10.7270/Q2805235
					More data for this Ligand-Target Pair