BDBM50165056 6-Furan-2-yl-9-(4-trifluoromethyl-benzyl)-9H-purin-2-ylamine::9-(4-(trifluoromethyl)benzyl)-6-(furan-2-yl)-9H-purin-2-amine::CHEMBL424827

SMILES: Nc1nc(-c2ccco2)c2ncn(Cc3ccc(cc3)C(F)(F)F)c2n1

InChI Key: InChIKey=LSFHXSDZJHMJAH-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50165056   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50165056 (6-Furan-2-yl-9-(4-trifluoromethyl-benzyl)-9H-purin...) Show SMILES Nc1nc(-c2ccco2)c2ncn(Cc3ccc(cc3)C(F)(F)F)c2n1 Show InChI InChI=1S/C17H12F3N5O/c18-17(19,20)11-5-3-10(4-6-11)8-25-9-22-14-13(12-2-1-7-26-12)23-16(21)24-15(14)25/h1-7,9H,8H2,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Binding affinity at human adenosine A2A receptor				Bioorg Med Chem Lett 18: 2924-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.072 BindingDB Entry DOI: 10.7270/Q23779KZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50165056 (6-Furan-2-yl-9-(4-trifluoromethyl-benzyl)-9H-purin...) Show SMILES Nc1nc(-c2ccco2)c2ncn(Cc3ccc(cc3)C(F)(F)F)c2n1 Show InChI InChI=1S/C17H12F3N5O/c18-17(19,20)11-5-3-10(4-6-11)8-25-9-22-14-13(12-2-1-7-26-12)23-16(21)24-15(14)25/h1-7,9H,8H2,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 as radioligand expressed in HEK cell membranes				Bioorg Med Chem Lett 15: 2119-22 (2005) Article DOI: 10.1016/j.bmcl.2005.02.031 BindingDB Entry DOI: 10.7270/Q2542N3H
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50165056 (6-Furan-2-yl-9-(4-trifluoromethyl-benzyl)-9H-purin...) Show SMILES Nc1nc(-c2ccco2)c2ncn(Cc3ccc(cc3)C(F)(F)F)c2n1 Show InChI InChI=1S/C17H12F3N5O/c18-17(19,20)11-5-3-10(4-6-11)8-25-9-22-14-13(12-2-1-7-26-12)23-16(21)24-15(14)25/h1-7,9H,8H2,(H2,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Binding affinity at human adenosine A1 receptor				Bioorg Med Chem Lett 18: 2924-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.072 BindingDB Entry DOI: 10.7270/Q23779KZ
					More data for this Ligand-Target Pair