BDBM50065407 (R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-methanesulfonylamino-propionamide::CHEMBL315636

SMILES: CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O

InChI Key: InChIKey=LFXDKGYPGBYESW-RBUKOAKNSA-N

Data: 3 KI  3 IC50

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 6 hits for monomerid = 50065407   

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))	BDBM50065407 ((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-met...) Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H24N2O5S/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Calpain-II receptor in porcine kidney				J Med Chem 41: 2663-6 (1998) Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF
					More data for this Ligand-Target Pair
Calpain1 (Homo sapiens (Human))	BDBM50065407 ((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-met...) Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H24N2O5S/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Calpain-I receptor				J Med Chem 41: 2663-6 (1998) Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50065407 ((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-met...) Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H24N2O5S/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against cathepsin B receptor in human liver				J Med Chem 41: 2663-6 (1998) Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF
					More data for this Ligand-Target Pair
Calpain1 (Homo sapiens (Human))	BDBM50065407 ((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-met...) Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H24N2O5S/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of intracellular Calpain-I receptor using intact cell assay system				J Med Chem 41: 2663-6 (1998) Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF
					More data for this Ligand-Target Pair
Calpain1 (Homo sapiens (Human))	BDBM50065407 ((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-met...) Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H24N2O5S/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against recombinant human Calpain 1				Bioorg Med Chem Lett 8: 2647-52 (1999) BindingDB Entry DOI: 10.7270/Q2GX49QX
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50065407 ((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-met...) Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H24N2O5S/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against Cathepsin B.				Bioorg Med Chem Lett 8: 2647-52 (1999) BindingDB Entry DOI: 10.7270/Q2GX49QX
					More data for this Ligand-Target Pair