BDBM50042401 CHEMBL116746::[1-(1-Benzyl-2-carbamoyl-2-oxo-ethylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester

SMILES: CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(N)=O

InChI Key: InChIKey=JKZCALXNJCQERK-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 = 50042401   

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))	BDBM50042401 (CHEMBL116746 | [1-(1-Benzyl-2-carbamoyl-2-oxo-ethy...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(N)=O Show InChI InChI=1S/C24H29N3O5/c1-16(2)13-20(27-24(31)32-15-18-11-7-4-8-12-18)23(30)26-19(21(28)22(25)29)14-17-9-5-3-6-10-17/h3-12,16,19-20H,13-15H2,1-2H3,(H2,25,29)(H,26,30)(H,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	760	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))	BDBM50042401 (CHEMBL116746 | [1-(1-Benzyl-2-carbamoyl-2-oxo-ethy...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(N)=O Show InChI InChI=1S/C24H29N3O5/c1-16(2)13-20(27-24(31)32-15-18-11-7-4-8-12-18)23(30)26-19(21(28)22(25)29)14-17-9-5-3-6-10-17/h3-12,16,19-20H,13-15H2,1-2H3,(H2,25,29)(H,26,30)(H,27,31)	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
Cathepsin B (Bos taurus (bovine))	BDBM50042401 (CHEMBL116746 | [1-(1-Benzyl-2-carbamoyl-2-oxo-ethy...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(N)=O Show InChI InChI=1S/C24H29N3O5/c1-16(2)13-20(27-24(31)32-15-18-11-7-4-8-12-18)23(30)26-19(21(28)22(25)29)14-17-9-5-3-6-10-17/h3-12,16,19-20H,13-15H2,1-2H3,(H2,25,29)(H,26,30)(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20E+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