BDBM50042388 3-{4-Methyl-2-[4-methyl-2-(naphthalene-2-sulfonylamino)-pentanoylamino]-pentanoylamino}-2-oxo-pentanoic acid ethyl ester::CHEMBL116037::CHEMBL3142936

SMILES: CCOC(=O)C(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=FCKQIMLEBWSREL-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50042388   

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-2 (m-Calpain) (Homo sapiens (Human))	BDBM50042388 (3-{4-Methyl-2-[4-methyl-2-(naphthalene-2-sulfonyla...) Show SMILES CCOC(=O)C(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C29H41N3O7S/c1-7-23(26(33)29(36)39-8-2)30-27(34)24(15-18(3)4)31-28(35)25(16-19(5)6)32-40(37,38)22-14-13-20-11-9-10-12-21(20)17-22/h9-14,17-19,23-25,32H,7-8,15-16H2,1-6H3,(H,30,34)(H,31,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+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
Calpain 1/small subunit 1 (Homo sapiens (Human))	BDBM50042388 (3-{4-Methyl-2-[4-methyl-2-(naphthalene-2-sulfonyla...) Show SMILES CCOC(=O)C(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C29H41N3O7S/c1-7-23(26(33)29(36)39-8-2)30-27(34)24(15-18(3)4)31-28(35)25(16-19(5)6)32-40(37,38)22-14-13-20-11-9-10-12-21(20)17-22/h9-14,17-19,23-25,32H,7-8,15-16H2,1-6H3,(H,30,34)(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+4	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
Cathepsin B (Bos taurus (bovine))	BDBM50042388 (3-{4-Methyl-2-[4-methyl-2-(naphthalene-2-sulfonyla...) Show SMILES CCOC(=O)C(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C29H41N3O7S/c1-7-23(26(33)29(36)39-8-2)30-27(34)24(15-18(3)4)31-28(35)25(16-19(5)6)32-40(37,38)22-14-13-20-11-9-10-12-21(20)17-22/h9-14,17-19,23-25,32H,7-8,15-16H2,1-6H3,(H,30,34)(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.50E+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