BDBM50298255 CHEMBL584601::N-(1-(Hydroxyamino)-5-(3-nitroguanidino)-1-oxopentan-2-yl)-3-nitrobenzamide

SMILES: NC(NCCC[C@H](NC(=O)c1cccc(c1)[N+]([O-])=O)C(=O)NO)=N[N+]([O-])=O

InChI Key: InChIKey=LFVUEMWOKAKPTH-JTQLQIEISA-N

Data: 2 IC50

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 = 50298255   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50298255 (CHEMBL584601 | N-(1-(Hydroxyamino)-5-(3-nitroguani...) Show SMILES NC(NCCC[C@H](NC(=O)c1cccc(c1)[N+]([O-])=O)C(=O)NO)=N[N+]([O-])=O |r,w:23.24| Show InChI InChI=1S/C13H17N7O7/c14-13(17-20(26)27)15-6-2-5-10(12(22)18-23)16-11(21)8-3-1-4-9(7-8)19(24)25/h1,3-4,7,10,23H,2,5-6H2,(H,16,21)(H,18,22)(H3,14,15,17)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+5	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem 17: 4666-73 (2009) Article DOI: 10.1016/j.bmc.2009.04.056 BindingDB Entry DOI: 10.7270/Q2D21XN3
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM50298255 (CHEMBL584601 | N-(1-(Hydroxyamino)-5-(3-nitroguani...) Show SMILES NC(NCCC[C@H](NC(=O)c1cccc(c1)[N+]([O-])=O)C(=O)NO)=N[N+]([O-])=O |r,w:23.24| Show InChI InChI=1S/C13H17N7O7/c14-13(17-20(26)27)15-6-2-5-10(12(22)18-23)16-11(21)8-3-1-4-9(7-8)19(24)25/h1,3-4,7,10,23H,2,5-6H2,(H,16,21)(H,18,22)(H3,14,15,17)/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of aminopeptidase N in pig kidney microsome by spectrophotometry				Bioorg Med Chem 17: 4666-73 (2009) Article DOI: 10.1016/j.bmc.2009.04.056 BindingDB Entry DOI: 10.7270/Q2D21XN3
					More data for this Ligand-Target Pair