BDBM50294516 CHEMBL561163::N-(2-Amino-6-furan-2-yl-5-nitro-pyrimidin-4-yl)-3-trifluoromethoxybenzamide

SMILES: Nc1nc(NC(=O)c2ccccc2OC(F)(F)F)c(c(n1)-c1ccco1)[N+]([O-])=O

InChI Key: InChIKey=YJSHFVYHZMYBJH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50294516   

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))	BDBM50294516 (CHEMBL561163 | N-(2-Amino-6-furan-2-yl-5-nitro-pyr...) Show SMILES Nc1nc(NC(=O)c2ccccc2OC(F)(F)F)c(c(n1)-c1ccco1)[N+]([O-])=O Show InChI InChI=1S/C16H10F3N5O5/c17-16(18,19)29-9-5-2-1-4-8(9)14(25)22-13-12(24(26)27)11(21-15(20)23-13)10-6-3-7-28-10/h1-7H,(H3,20,21,22,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	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 Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50294516 (CHEMBL561163 | N-(2-Amino-6-furan-2-yl-5-nitro-pyr...) Show SMILES Nc1nc(NC(=O)c2ccccc2OC(F)(F)F)c(c(n1)-c1ccco1)[N+]([O-])=O Show InChI InChI=1S/C16H10F3N5O5/c17-16(18,19)29-9-5-2-1-4-8(9)14(25)22-13-12(24(26)27)11(21-15(20)23-13)10-6-3-7-28-10/h1-7H,(H3,20,21,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	298	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 Displacement of [3H]CGS21680 from human adenosine A1 receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair