BDBM50042432 CHEMBL115701::{3-Methyl-1-[1-(4-phenyl-butylaminooxalyl)-propylcarbamoyl]-butyl}-carbamic acid benzyl ester

SMILES: CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCCc1ccccc1

InChI Key: InChIKey=NDHXUSGFCSYNLZ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50042432   

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))	BDBM50042432 (CHEMBL115701 | {3-Methyl-1-[1-(4-phenyl-butylamino...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCCc1ccccc1 Show InChI InChI=1S/C29H39N3O5/c1-4-24(26(33)28(35)30-18-12-11-15-22-13-7-5-8-14-22)31-27(34)25(19-21(2)3)32-29(36)37-20-23-16-9-6-10-17-23/h5-10,13-14,16-17,21,24-25H,4,11-12,15,18-20H2,1-3H3,(H,30,35)(H,31,34)(H,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	320	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))	BDBM50042432 (CHEMBL115701 | {3-Methyl-1-[1-(4-phenyl-butylamino...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCCc1ccccc1 Show InChI InChI=1S/C29H39N3O5/c1-4-24(26(33)28(35)30-18-12-11-15-22-13-7-5-8-14-22)31-27(34)25(19-21(2)3)32-29(36)37-20-23-16-9-6-10-17-23/h5-10,13-14,16-17,21,24-25H,4,11-12,15,18-20H2,1-3H3,(H,30,35)(H,31,34)(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+3	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