BDBM50042437 3-(2-Benzyloxycarbonylamino-4-methyl-pentanoylamino)-4-(4-chloro-phenyl)-2-oxo-butyric acid ethyl ester::CHEMBL117232

SMILES: CCOC(=O)C(=O)C(Cc1ccc(Cl)cc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1

InChI Key: InChIKey=NRIVSUPNDJUWHY-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 = 50042437   

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))	BDBM50042437 (3-(2-Benzyloxycarbonylamino-4-methyl-pentanoylamin...) Show SMILES CCOC(=O)C(=O)C(Cc1ccc(Cl)cc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C26H31ClN2O6/c1-4-34-25(32)23(30)21(15-18-10-12-20(27)13-11-18)28-24(31)22(14-17(2)3)29-26(33)35-16-19-8-6-5-7-9-19/h5-13,17,21-22H,4,14-16H2,1-3H3,(H,28,31)(H,29,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	400	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))	BDBM50042437 (3-(2-Benzyloxycarbonylamino-4-methyl-pentanoylamin...) Show SMILES CCOC(=O)C(=O)C(Cc1ccc(Cl)cc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C26H31ClN2O6/c1-4-34-25(32)23(30)21(15-18-10-12-20(27)13-11-18)28-24(31)22(14-17(2)3)29-26(33)35-16-19-8-6-5-7-9-19/h5-13,17,21-22H,4,14-16H2,1-3H3,(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	<4.00E+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))	BDBM50042437 (3-(2-Benzyloxycarbonylamino-4-methyl-pentanoylamin...) Show SMILES CCOC(=O)C(=O)C(Cc1ccc(Cl)cc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C26H31ClN2O6/c1-4-34-25(32)23(30)21(15-18-10-12-20(27)13-11-18)28-24(31)22(14-17(2)3)29-26(33)35-16-19-8-6-5-7-9-19/h5-13,17,21-22H,4,14-16H2,1-3H3,(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	5.00E+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
Papain (Carica papaya)	BDBM50042437 (3-(2-Benzyloxycarbonylamino-4-methyl-pentanoylamin...) Show SMILES CCOC(=O)C(=O)C(Cc1ccc(Cl)cc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C26H31ClN2O6/c1-4-34-25(32)23(30)21(15-18-10-12-20(27)13-11-18)28-24(31)22(14-17(2)3)29-26(33)35-16-19-8-6-5-7-9-19/h5-13,17,21-22H,4,14-16H2,1-3H3,(H,28,31)(H,29,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+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