BDBM50042423 CHEMBL325401::[1-(1-Aminooxalyl-propylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester

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

InChI Key: InChIKey=YLELJBQQWFIURX-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50042423   

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))	BDBM50042423 (CHEMBL325401 | [1-(1-Aminooxalyl-propylcarbamoyl)-...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(N)=O Show InChI InChI=1S/C19H27N3O5/c1-4-14(16(23)17(20)24)21-18(25)15(10-12(2)3)22-19(26)27-11-13-8-6-5-7-9-13/h5-9,12,14-15H,4,10-11H2,1-3H3,(H2,20,24)(H,21,25)(H,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	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))	BDBM50042423 (CHEMBL325401 | [1-(1-Aminooxalyl-propylcarbamoyl)-...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(N)=O Show InChI InChI=1S/C19H27N3O5/c1-4-14(16(23)17(20)24)21-18(25)15(10-12(2)3)22-19(26)27-11-13-8-6-5-7-9-13/h5-9,12,14-15H,4,10-11H2,1-3H3,(H2,20,24)(H,21,25)(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	280	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))	BDBM50042423 (CHEMBL325401 | [1-(1-Aminooxalyl-propylcarbamoyl)-...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(N)=O Show InChI InChI=1S/C19H27N3O5/c1-4-14(16(23)17(20)24)21-18(25)15(10-12(2)3)22-19(26)27-11-13-8-6-5-7-9-13/h5-9,12,14-15H,4,10-11H2,1-3H3,(H2,20,24)(H,21,25)(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40E+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
Papain (Carica papaya)	BDBM50042423 (CHEMBL325401 | [1-(1-Aminooxalyl-propylcarbamoyl)-...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(N)=O Show InChI InChI=1S/C19H27N3O5/c1-4-14(16(23)17(20)24)21-18(25)15(10-12(2)3)22-19(26)27-11-13-8-6-5-7-9-13/h5-9,12,14-15H,4,10-11H2,1-3H3,(H2,20,24)(H,21,25)(H,22,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Inhibitory activity of alpha-ketoesters towards papain at pH 6.0				J Med Chem 36: 3472-80 (1993) BindingDB Entry DOI: 10.7270/Q2F76BK3
					More data for this Ligand-Target Pair