BDBM50298267 CHEMBL574274::N-(1-(Hydroxyamino)-5-(3-nitroguanidino)-1-oxopentan-2-yl)-3,4,5-trimethoxybenzamide

SMILES: COc1cc(cc(OC)c1OC)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO

InChI Key: InChIKey=BOEKKMGYMMMJAF-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 = 50298267   

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))	BDBM50298267 (CHEMBL574274 | N-(1-(Hydroxyamino)-5-(3-nitroguani...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:22.23| Show InChI InChI=1S/C16H24N6O8/c1-28-11-7-9(8-12(29-2)13(11)30-3)14(23)19-10(15(24)21-25)5-4-6-18-16(17)20-22(26)27/h7-8,10,25H,4-6H2,1-3H3,(H,19,23)(H,21,24)(H3,17,18,20)/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	4.11E+4	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))	BDBM50298267 (CHEMBL574274 | N-(1-(Hydroxyamino)-5-(3-nitroguani...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:22.23| Show InChI InChI=1S/C16H24N6O8/c1-28-11-7-9(8-12(29-2)13(11)30-3)14(23)19-10(15(24)21-25)5-4-6-18-16(17)20-22(26)27/h7-8,10,25H,4-6H2,1-3H3,(H,19,23)(H,21,24)(H3,17,18,20)/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.71E+5	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