BDBM50294517 CHEMBL551177::N-(2-Amino-6-furan-2-yl-5-nitro-pyrimidin-4-yl)-nicotinamide

SMILES: Nc1nc(NC(=O)c2cccnc2)c(c(n1)-c1ccco1)[N+]([O-])=O

InChI Key: InChIKey=KRFMWHLMAJRMIN-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 = 50294517   

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))	BDBM50294517 (CHEMBL551177 | N-(2-Amino-6-furan-2-yl-5-nitro-pyr...) Show SMILES Nc1nc(NC(=O)c2cccnc2)c(c(n1)-c1ccco1)[N+]([O-])=O Show InChI InChI=1S/C14H10N6O4/c15-14-17-10(9-4-2-6-24-9)11(20(22)23)12(19-14)18-13(21)8-3-1-5-16-7-8/h1-7H,(H3,15,17,18,19,21)	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	220	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))	BDBM50294517 (CHEMBL551177 | N-(2-Amino-6-furan-2-yl-5-nitro-pyr...) Show SMILES Nc1nc(NC(=O)c2cccnc2)c(c(n1)-c1ccco1)[N+]([O-])=O Show InChI InChI=1S/C14H10N6O4/c15-14-17-10(9-4-2-6-24-9)11(20(22)23)12(19-14)18-13(21)8-3-1-5-16-7-8/h1-7H,(H3,15,17,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.54E+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 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