BDBM50052693 (2S,3S)-3-[(S)-3-Methyl-1-(3-methyl-butylcarbamoyl)-butylcarbamoyl]-oxirane-2-carboxylic acid ethyl ester::(2S,3S)-ethyl 3-(((S)-1-(isopentylamino)-4-methyl-1-oxopentan-2-yl)carbamoyl)oxirane-2-carboxylate::(2S,3S)-trans-epoxysuccinyl-L-leucylamido-3-methylbutane ethyl ester::3-[3-Methyl-1-(3-methyl-butylcarbamoyl)-butylcarbamoyl]-oxirane-2-carboxylic acid ethyl ester::Aloxistatin::CHEMBL63440

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

InChI Key: InChIKey=SRVFFFJZQVENJC-IHRRRGAJSA-N

Data: 1 KI  6 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 7 hits for monomerid = 50052693   

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
Papain (Carica papaya)	BDBM50052693 ((2S,3S)-3-[(S)-3-Methyl-1-(3-methyl-butylcarbamoyl...) Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C |r| Show InChI InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Kinetic constant Apparent binding constant (Ki`) for the inhibition of papain conducted in 0.1 M phosphate, pH 6.8, at 30 degree C				J Med Chem 39: 3357-66 (1996) Article DOI: 10.1021/jm950445b BindingDB Entry DOI: 10.7270/Q2B56HTP
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50052693 ((2S,3S)-3-[(S)-3-Methyl-1-(3-methyl-butylcarbamoyl...) Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C |r| Show InChI InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Blockade of cathepsin G processing in human U937 cells by densitometry				J Biol Chem 282: 20836-46 (2007) Article DOI: 10.1074/jbc.M702615200 BindingDB Entry DOI: 10.7270/Q2125TJM
					More data for this Ligand-Target Pair
Calpain1 (Homo sapiens (Human))	BDBM50052693 ((2S,3S)-3-[(S)-3-Methyl-1-(3-methyl-butylcarbamoyl...) Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C |r| Show InChI InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Health Science Center Curated by ChEMBL					Assay Description The calpain inhibitory activity(I 50) was measured as ability to enter the platelet to inhibit calpain after cell lysis(assay 2)				J Med Chem 35: 2048-54 (1992) BindingDB Entry DOI: 10.7270/Q27M094H
					More data for this Ligand-Target Pair
Cathepsin G (Mus musculus)	BDBM50052693 ((2S,3S)-3-[(S)-3-Methyl-1-(3-methyl-butylcarbamoyl...) Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C |r| Show InChI InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of cathepsin G activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrs				J Biol Chem 282: 20836-46 (2007) Article DOI: 10.1074/jbc.M702615200 BindingDB Entry DOI: 10.7270/Q2125TJM
					More data for this Ligand-Target Pair
Myeloblastin (Mus musculus)	BDBM50052693 ((2S,3S)-3-[(S)-3-Methyl-1-(3-methyl-butylcarbamoyl...) Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C |r| Show InChI InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of proteinase-3 activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrs				J Biol Chem 282: 20836-46 (2007) Article DOI: 10.1074/jbc.M702615200 BindingDB Entry DOI: 10.7270/Q2125TJM
					More data for this Ligand-Target Pair
Calpain1 (Homo sapiens (Human))	BDBM50052693 ((2S,3S)-3-[(S)-3-Methyl-1-(3-methyl-butylcarbamoyl...) Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C |r| Show InChI InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Health Science Center Curated by ChEMBL					Assay Description The ability of compound to inhibit calpain in a preparation of lysed platelets was measured with a caseinolytic assay(assay 1)				J Med Chem 35: 2048-54 (1992) BindingDB Entry DOI: 10.7270/Q27M094H
					More data for this Ligand-Target Pair
Neutrophil elastase (Mus musculus)	BDBM50052693 ((2S,3S)-3-[(S)-3-Methyl-1-(3-methyl-butylcarbamoyl...) Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C |r| Show InChI InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of neutrophil elastase activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrs				J Biol Chem 282: 20836-46 (2007) Article DOI: 10.1074/jbc.M702615200 BindingDB Entry DOI: 10.7270/Q2125TJM
					More data for this Ligand-Target Pair