BDBM50053830 (1-{1-[2-Hydroxy-2-(4-methoxy-phenyl)-ethylaminooxalyl]-propylcarbamoyl}-3-methyl-butyl)-carbamic acid benzyl ester::CHEMBL130599

SMILES: CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OC)cc1

InChI Key: InChIKey=VPRUMEOQBRFKRM-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50053830   

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
Cathepsin B (Bos taurus (bovine))	BDBM50053830 ((1-{1-[2-Hydroxy-2-(4-methoxy-phenyl)-ethylaminoox...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OC)cc1 Show InChI InChI=1S/C28H37N3O7/c1-5-22(25(33)27(35)29-16-24(32)20-11-13-21(37-4)14-12-20)30-26(34)23(15-18(2)3)31-28(36)38-17-19-9-7-6-8-10-19/h6-14,18,22-24,32H,5,15-17H2,1-4H3,(H,29,35)(H,30,34)(H,31,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	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 bovine 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
Calpain1 (Homo sapiens (Human))	BDBM50053830 ((1-{1-[2-Hydroxy-2-(4-methoxy-phenyl)-ethylaminoox...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OC)cc1 Show InChI InChI=1S/C28H37N3O7/c1-5-22(25(33)27(35)29-16-24(32)20-11-13-21(37-4)14-12-20)30-26(34)23(15-18(2)3)31-28(36)38-17-19-9-7-6-8-10-19/h6-14,18,22-24,32H,5,15-17H2,1-4H3,(H,29,35)(H,30,34)(H,31,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.240	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