BDBM50042418 CHEMBL2370490::{1-[1-(1-Ethyl-2,3-dioxo-pentylcarbamoyl)-3-methyl-butylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester

SMILES: CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)CC

InChI Key: InChIKey=XKSLGEKDOUFYHP-FKBYEOEOSA-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 = 50042418   

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))	BDBM50042418 (CHEMBL2370490 | {1-[1-(1-Ethyl-2,3-dioxo-pentylcar...) Show SMILES CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)CC |r| Show InChI InChI=1S/C27H41N3O6/c1-7-20(24(32)23(31)8-2)28-25(33)21(14-17(3)4)29-26(34)22(15-18(5)6)30-27(35)36-16-19-12-10-9-11-13-19/h9-13,17-18,20-22H,7-8,14-16H2,1-6H3,(H,28,33)(H,29,34)(H,30,35)/t20-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80E+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))	BDBM50042418 (CHEMBL2370490 | {1-[1-(1-Ethyl-2,3-dioxo-pentylcar...) Show SMILES CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)CC |r| Show InChI InChI=1S/C27H41N3O6/c1-7-20(24(32)23(31)8-2)28-25(33)21(14-17(3)4)29-26(34)22(15-18(5)6)30-27(35)36-16-19-12-10-9-11-13-19/h9-13,17-18,20-22H,7-8,14-16H2,1-6H3,(H,28,33)(H,29,34)(H,30,35)/t20-,21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60E+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))	BDBM50042418 (CHEMBL2370490 | {1-[1-(1-Ethyl-2,3-dioxo-pentylcar...) Show SMILES CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)CC |r| Show InChI InChI=1S/C27H41N3O6/c1-7-20(24(32)23(31)8-2)28-25(33)21(14-17(3)4)29-26(34)22(15-18(5)6)30-27(35)36-16-19-12-10-9-11-13-19/h9-13,17-18,20-22H,7-8,14-16H2,1-6H3,(H,28,33)(H,29,34)(H,30,35)/t20-,21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20E+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