Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 324.2 BDBM42441

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

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
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM42441 (2-(4-methoxyphenyl)-N-(3-nitroanilino)-2-oxoethani...) Show SMILES COc1ccc(cc1)C(=O)[C-](\N=[NH+]\c1cccc(c1)[N+]([O-])=O)C#N Show InChI InChI=1S/C16H11N4O4/c1-24-14-7-5-11(6-8-14)16(21)15(10-17)19-18-12-3-2-4-13(9-12)20(22)23/h2-9H,1H3/q-1/p+1/b19-18+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2ZS2TWK
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM42441 (2-(4-methoxyphenyl)-N-(3-nitroanilino)-2-oxoethani...) Show SMILES COc1ccc(cc1)C(=O)[C-](\N=[NH+]\c1cccc(c1)[N+]([O-])=O)C#N Show InChI InChI=1S/C16H11N4O4/c1-24-14-7-5-11(6-8-14)16(21)15(10-17)19-18-12-3-2-4-13(9-12)20(22)23/h2-9H,1H3/q-1/p+1/b19-18+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2V1235Z
					More data for this Ligand-Target Pair
Streptokinase A (Streptococcus pyogenes M1 GAS)	BDBM42441 (2-(4-methoxyphenyl)-N-(3-nitroanilino)-2-oxoethani...) Show SMILES COc1ccc(cc1)C(=O)[C-](\N=[NH+]\c1cccc(c1)[N+]([O-])=O)C#N Show InChI InChI=1S/C16H11N4O4/c1-24-14-7-5-11(6-8-14)16(21)15(10-17)19-18-12-3-2-4-13(9-12)20(22)23/h2-9H,1H3/q-1/p+1/b19-18+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2736PBV
					More data for this Ligand-Target Pair