BDBM50042399 CHEMBL116429::[1-(1-Heptylaminooxalyl-propylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester

SMILES: CCCCCCCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1

InChI Key: InChIKey=BJVLXPNAIXTDOW-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 = 50042399   

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))	BDBM50042399 (CHEMBL116429 | [1-(1-Heptylaminooxalyl-propylcarba...) Show SMILES CCCCCCCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C26H41N3O5/c1-5-7-8-9-13-16-27-25(32)23(30)21(6-2)28-24(31)22(17-19(3)4)29-26(33)34-18-20-14-11-10-12-15-20/h10-12,14-15,19,21-22H,5-9,13,16-18H2,1-4H3,(H,27,32)(H,28,31)(H,29,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	67	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))	BDBM50042399 (CHEMBL116429 | [1-(1-Heptylaminooxalyl-propylcarba...) Show SMILES CCCCCCCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C26H41N3O5/c1-5-7-8-9-13-16-27-25(32)23(30)21(6-2)28-24(31)22(17-19(3)4)29-26(33)34-18-20-14-11-10-12-15-20/h10-12,14-15,19,21-22H,5-9,13,16-18H2,1-4H3,(H,27,32)(H,28,31)(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	96	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))	BDBM50042399 (CHEMBL116429 | [1-(1-Heptylaminooxalyl-propylcarba...) Show SMILES CCCCCCCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C26H41N3O5/c1-5-7-8-9-13-16-27-25(32)23(30)21(6-2)28-24(31)22(17-19(3)4)29-26(33)34-18-20-14-11-10-12-15-20/h10-12,14-15,19,21-22H,5-9,13,16-18H2,1-4H3,(H,27,32)(H,28,31)(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+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