BDBM50042410 3-[2-(2-Benzyloxycarbonylamino-4-methyl-pentanoylamino)-4-methyl-pentanoylamino]-2-oxo-4-phenyl-butyric acid ethyl ester::CHEMBL119011::CHEMBL3142933

SMILES: CCOC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

InChI Key: InChIKey=VGQDAFRILWAFTH-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 = 50042410   

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))	BDBM50042410 (3-[2-(2-Benzyloxycarbonylamino-4-methyl-pentanoyla...) Show SMILES CCOC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C32H43N3O7/c1-6-41-31(39)28(36)25(19-23-13-9-7-10-14-23)33-29(37)26(17-21(2)3)34-30(38)27(18-22(4)5)35-32(40)42-20-24-15-11-8-12-16-24/h7-16,21-22,25-27H,6,17-20H2,1-5H3,(H,33,37)(H,34,38)(H,35,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+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))	BDBM50042410 (3-[2-(2-Benzyloxycarbonylamino-4-methyl-pentanoyla...) Show SMILES CCOC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C32H43N3O7/c1-6-41-31(39)28(36)25(19-23-13-9-7-10-14-23)33-29(37)26(17-21(2)3)34-30(38)27(18-22(4)5)35-32(40)42-20-24-15-11-8-12-16-24/h7-16,21-22,25-27H,6,17-20H2,1-5H3,(H,33,37)(H,34,38)(H,35,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90E+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
Papain (Carica papaya)	BDBM50042410 (3-[2-(2-Benzyloxycarbonylamino-4-methyl-pentanoyla...) Show SMILES CCOC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C32H43N3O7/c1-6-41-31(39)28(36)25(19-23-13-9-7-10-14-23)33-29(37)26(17-21(2)3)34-30(38)27(18-22(4)5)35-32(40)42-20-24-15-11-8-12-16-24/h7-16,21-22,25-27H,6,17-20H2,1-5H3,(H,33,37)(H,34,38)(H,35,40)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+4	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
Cathepsin B (Bos taurus (bovine))	BDBM50042410 (3-[2-(2-Benzyloxycarbonylamino-4-methyl-pentanoyla...) Show SMILES CCOC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C32H43N3O7/c1-6-41-31(39)28(36)25(19-23-13-9-7-10-14-23)33-29(37)26(17-21(2)3)34-30(38)27(18-22(4)5)35-32(40)42-20-24-15-11-8-12-16-24/h7-16,21-22,25-27H,6,17-20H2,1-5H3,(H,33,37)(H,34,38)(H,35,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20E+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