BDBM50053845 (1-{1-[2-Hydroxy-2-(3-phenoxy-phenyl)-ethylaminooxalyl]-propylcarbamoyl}-3-methyl-butyl)-carbamic acid benzyl ester::CHEMBL341219

SMILES: CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(Oc2ccccc2)c1

InChI Key: InChIKey=WKNXHKNTWIOTFP-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 = 50053845   

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))	BDBM50053845 ((1-{1-[2-Hydroxy-2-(3-phenoxy-phenyl)-ethylaminoox...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C33H39N3O7/c1-4-27(35-31(39)28(18-22(2)3)36-33(41)42-21-23-12-7-5-8-13-23)30(38)32(40)34-20-29(37)24-14-11-17-26(19-24)43-25-15-9-6-10-16-25/h5-17,19,22,27-29,37H,4,18,20-21H2,1-3H3,(H,34,40)(H,35,39)(H,36,41)	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
Calpain-2 (m-Calpain) (Homo sapiens (Human))	BDBM50053845 ((1-{1-[2-Hydroxy-2-(3-phenoxy-phenyl)-ethylaminoox...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C33H39N3O7/c1-4-27(35-31(39)28(18-22(2)3)36-33(41)42-21-23-12-7-5-8-13-23)30(38)32(40)34-20-29(37)24-14-11-17-26(19-24)43-25-15-9-6-10-16-25/h5-17,19,22,27-29,37H,4,18,20-21H2,1-3H3,(H,34,40)(H,35,39)(H,36,41)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.590	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))	BDBM50053845 ((1-{1-[2-Hydroxy-2-(3-phenoxy-phenyl)-ethylaminoox...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C33H39N3O7/c1-4-27(35-31(39)28(18-22(2)3)36-33(41)42-21-23-12-7-5-8-13-23)30(38)32(40)34-20-29(37)24-14-11-17-26(19-24)43-25-15-9-6-10-16-25/h5-17,19,22,27-29,37H,4,18,20-21H2,1-3H3,(H,34,40)(H,35,39)(H,36,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	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