BDBM50042384 3-(2-Benzyloxycarbonylamino-4-methyl-pentanoylamino)-5-methylsulfanyl-2-oxo-pentanoic acid ethyl ester::CHEMBL117255

SMILES: CCOC(=O)C(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1

InChI Key: InChIKey=NQTCNKWSPHAXMS-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50042384   

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
Calpain 1/small subunit 1 (Homo sapiens (Human))	BDBM50042384 (3-(2-Benzyloxycarbonylamino-4-methyl-pentanoylamin...) Show SMILES CCOC(=O)C(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C22H32N2O6S/c1-5-29-21(27)19(25)17(11-12-31-4)23-20(26)18(13-15(2)3)24-22(28)30-14-16-9-7-6-8-10-16/h6-10,15,17-18H,5,11-14H2,1-4H3,(H,23,26)(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0.				J Med Chem 36: 3472-80 (1993) BindingDB Entry DOI: 10.7270/Q2F76BK3
					More data for this Ligand-Target Pair
Calpain-2 (m-Calpain) (Homo sapiens (Human))	BDBM50042384 (3-(2-Benzyloxycarbonylamino-4-methyl-pentanoylamin...) Show SMILES CCOC(=O)C(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C22H32N2O6S/c1-5-29-21(27)19(25)17(11-12-31-4)23-20(26)18(13-15(2)3)24-22(28)30-14-16-9-7-6-8-10-16/h6-10,15,17-18H,5,11-14H2,1-4H3,(H,23,26)(H,24,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Inhibitory activity of alpha-keto esters towards calpain 2 at pH 8.0				J Med Chem 36: 3472-80 (1993) BindingDB Entry DOI: 10.7270/Q2F76BK3
					More data for this Ligand-Target Pair
Cathepsin B (Bos taurus (bovine))	BDBM50042384 (3-(2-Benzyloxycarbonylamino-4-methyl-pentanoylamin...) Show SMILES CCOC(=O)C(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C22H32N2O6S/c1-5-29-21(27)19(25)17(11-12-31-4)23-20(26)18(13-15(2)3)24-22(28)30-14-16-9-7-6-8-10-16/h6-10,15,17-18H,5,11-14H2,1-4H3,(H,23,26)(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	5.2	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Inhibition of alpha-keto esters towards cathepsin B at pH 5.2				J Med Chem 36: 3472-80 (1993) BindingDB Entry DOI: 10.7270/Q2F76BK3
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50042384 (3-(2-Benzyloxycarbonylamino-4-methyl-pentanoylamin...) Show SMILES CCOC(=O)C(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C22H32N2O6S/c1-5-29-21(27)19(25)17(11-12-31-4)23-20(26)18(13-15(2)3)24-22(28)30-14-16-9-7-6-8-10-16/h6-10,15,17-18H,5,11-14H2,1-4H3,(H,23,26)(H,24,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Inhibitory activity of alpha-ketoesters towards papain at pH 6.0				J Med Chem 36: 3472-80 (1993) BindingDB Entry DOI: 10.7270/Q2F76BK3
					More data for this Ligand-Target Pair