BDBM50053843 (1-{1-Benzyl-2-oxo-2-[(pyridin-2-ylmethyl)-carbamoyl]-ethylcarbamoyl}-3-methyl-butyl)-carbamic acid benzyl ester::CHEMBL129933

SMILES: CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccccn1

InChI Key: InChIKey=YVQGWXFRALVDJS-UHFFFAOYSA-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 = 50053843   

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))	BDBM50053843 ((1-{1-Benzyl-2-oxo-2-[(pyridin-2-ylmethyl)-carbamo...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccccn1 Show InChI InChI=1S/C30H34N4O5/c1-21(2)17-26(34-30(38)39-20-23-13-7-4-8-14-23)28(36)33-25(18-22-11-5-3-6-12-22)27(35)29(37)32-19-24-15-9-10-16-31-24/h3-16,21,25-26H,17-20H2,1-2H3,(H,32,37)(H,33,36)(H,34,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	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 Compound was evaluated for the inhibition of Cysteine protease Calpain 2				J Med Chem 39: 4089-98 (1996) Article DOI: 10.1021/jm950541c BindingDB Entry DOI: 10.7270/Q2TX3DGR
					More data for this Ligand-Target Pair
Calpain1 (Homo sapiens (Human))	BDBM50053843 ((1-{1-Benzyl-2-oxo-2-[(pyridin-2-ylmethyl)-carbamo...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccccn1 Show InChI InChI=1S/C30H34N4O5/c1-21(2)17-26(34-30(38)39-20-23-13-7-4-8-14-23)28(36)33-25(18-22-11-5-3-6-12-22)27(35)29(37)32-19-24-15-9-10-16-31-24/h3-16,21,25-26H,17-20H2,1-2H3,(H,32,37)(H,33,36)(H,34,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.650	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 Inhibition of the cysteine protease human Calpain 1				J Med Chem 39: 4089-98 (1996) Article DOI: 10.1021/jm950541c BindingDB Entry DOI: 10.7270/Q2TX3DGR
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50053843 ((1-{1-Benzyl-2-oxo-2-[(pyridin-2-ylmethyl)-carbamo...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccccn1 Show InChI InChI=1S/C30H34N4O5/c1-21(2)17-26(34-30(38)39-20-23-13-7-4-8-14-23)28(36)33-25(18-22-11-5-3-6-12-22)27(35)29(37)32-19-24-15-9-10-16-31-24/h3-16,21,25-26H,17-20H2,1-2H3,(H,32,37)(H,33,36)(H,34,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	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 Inhibition of human cathepsin B				J Med Chem 39: 4089-98 (1996) Article DOI: 10.1021/jm950541c BindingDB Entry DOI: 10.7270/Q2TX3DGR
					More data for this Ligand-Target Pair