Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 323.4 BDBM50353915

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

Found 2 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
Aminopeptidase N (Sus scrofa (Pig))	BDBM50353915 (CHEMBL1830654) Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NO |r| Show InChI InChI=1S/C15H21N3O3S/c1-22-7-6-12(15(20)18-21)17-14(19)13-8-10-4-2-3-5-11(10)9-16-13/h2-5,12-13,16,21H,6-9H2,1H3,(H,17,19)(H,18,20)/t12-,13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shan Dong University Curated by ChEMBL					Assay Description Inhibition of pig kidney microsome aminopeptidase N using L-Leu-p-nitroanilide substrate				Bioorg Med Chem 19: 6015-25 (2011) Article DOI: 10.1016/j.bmc.2011.08.041 BindingDB Entry DOI: 10.7270/Q2251JKK
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50353915 (CHEMBL1830654) Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NO |r| Show InChI InChI=1S/C15H21N3O3S/c1-22-7-6-12(15(20)18-21)17-14(19)13-8-10-4-2-3-5-11(10)9-16-13/h2-5,12-13,16,21H,6-9H2,1H3,(H,17,19)(H,18,20)/t12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.66E+5	n/a	n/a	n/a	n/a	n/a	n/a
Shan Dong University Curated by ChEMBL					Assay Description Inhibition of MMP2 after 30 mins				Bioorg Med Chem 19: 6015-25 (2011) Article DOI: 10.1016/j.bmc.2011.08.041 BindingDB Entry DOI: 10.7270/Q2251JKK
					More data for this Ligand-Target Pair