BDBM36332 LI-1::Legumain Inhibitor -1

SMILES: CCOC(=O)[C@H]1O[C@@H]1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O

InChI Key: InChIKey=TZKVALJHLJILLI-DLOVCJGASA-N

Data: 5 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 5 hits for monomerid = 36332   

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
Legumain (Mus musculus)	BDBM36332 (LI-1 | Legumain Inhibitor -1) Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O |r| Show InChI InChI=1S/C15H22N4O7/c1-3-25-15(24)12-11(26-12)14(23)19(7-10(16)21)17-13(22)9-5-4-6-18(9)8(2)20/h9,11-12H,3-7H2,1-2H3,(H2,16,21)(H,17,22)/t9-,11-,12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.5	n/a	n/a	n/a	n/a	5.8	25
Stanford University					Assay Description IC50 measurements and enzyme kinetics assays were performed on a Spectramax M5 fluorescent plate reader (Molecular Devices).				ACS Chem Biol 5: 233-43 (2010) Article DOI: 10.1021/cb900232a BindingDB Entry DOI: 10.7270/Q2Z31X0W
					More data for this Ligand-Target Pair
Cathepsin B (Mus musculus)	BDBM36332 (LI-1 | Legumain Inhibitor -1) Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O |r| Show InChI InChI=1S/C15H22N4O7/c1-3-25-15(24)12-11(26-12)14(23)19(7-10(16)21)17-13(22)9-5-4-6-18(9)8(2)20/h9,11-12H,3-7H2,1-2H3,(H2,16,21)(H,17,22)/t9-,11-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+5	n/a	n/a	n/a	n/a	6.25	25
Stanford University					Assay Description IC50 measurements and enzyme kinetics assays were performed on a Spectramax M5 fluorescent plate reader (Molecular Devices).				ACS Chem Biol 5: 233-43 (2010) Article DOI: 10.1021/cb900232a BindingDB Entry DOI: 10.7270/Q2Z31X0W
					More data for this Ligand-Target Pair
Legumain (Mus musculus)	BDBM36332 (LI-1 | Legumain Inhibitor -1) Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O |r| Show InChI InChI=1S/C15H22N4O7/c1-3-25-15(24)12-11(26-12)14(23)19(7-10(16)21)17-13(22)9-5-4-6-18(9)8(2)20/h9,11-12H,3-7H2,1-2H3,(H2,16,21)(H,17,22)/t9-,11-,12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry				Bioorg Med Chem Lett 22: 1340-3 (2012) Article DOI: 10.1016/j.bmcl.2011.12.079 BindingDB Entry DOI: 10.7270/Q2H132GV
					More data for this Ligand-Target Pair
Caspase-3 (Mus musculus)	BDBM36332 (LI-1 | Legumain Inhibitor -1) Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O |r| Show InChI InChI=1S/C15H22N4O7/c1-3-25-15(24)12-11(26-12)14(23)19(7-10(16)21)17-13(22)9-5-4-6-18(9)8(2)20/h9,11-12H,3-7H2,1-2H3,(H2,16,21)(H,17,22)/t9-,11-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90E+5	n/a	n/a	n/a	n/a	7.4	25
Stanford University					Assay Description IC50 measurements and enzyme kinetics assays were performed on a Spectramax M5 fluorescent plate reader (Molecular Devices).				ACS Chem Biol 5: 233-43 (2010) Article DOI: 10.1021/cb900232a BindingDB Entry DOI: 10.7270/Q2Z31X0W
					More data for this Ligand-Target Pair
Cathepsin L (Mus musculus)	BDBM36332 (LI-1 | Legumain Inhibitor -1) Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O |r| Show InChI InChI=1S/C15H22N4O7/c1-3-25-15(24)12-11(26-12)14(23)19(7-10(16)21)17-13(22)9-5-4-6-18(9)8(2)20/h9,11-12H,3-7H2,1-2H3,(H2,16,21)(H,17,22)/t9-,11-,12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+5	n/a	n/a	n/a	n/a	6.25	25
Stanford University					Assay Description IC50 measurements and enzyme kinetics assays were performed on a Spectramax M5 fluorescent plate reader (Molecular Devices).				ACS Chem Biol 5: 233-43 (2010) Article DOI: 10.1021/cb900232a BindingDB Entry DOI: 10.7270/Q2Z31X0W
					More data for this Ligand-Target Pair