BDBM50053835 (1-{1-[2-Hydroxy-2-(3,4,5-trimethoxy-phenyl)-ethylaminooxalyl]-propylcarbamoyl}-3-methyl-butyl)-carbamic acid benzyl ester::CHEMBL130359

SMILES: CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cc(OC)c(OC)c(OC)c1

InChI Key: InChIKey=CLBKCGOYQYVDNB-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 = 50053835   

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))	BDBM50053835 ((1-{1-[2-Hydroxy-2-(3,4,5-trimethoxy-phenyl)-ethyl...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C30H41N3O9/c1-7-21(32-28(36)22(13-18(2)3)33-30(38)42-17-19-11-9-8-10-12-19)26(35)29(37)31-16-23(34)20-14-24(39-4)27(41-6)25(15-20)40-5/h8-12,14-15,18,21-23,34H,7,13,16-17H2,1-6H3,(H,31,37)(H,32,36)(H,33,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	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
Cathepsin B (Bos taurus (bovine))	BDBM50053835 ((1-{1-[2-Hydroxy-2-(3,4,5-trimethoxy-phenyl)-ethyl...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C30H41N3O9/c1-7-21(32-28(36)22(13-18(2)3)33-30(38)42-17-19-11-9-8-10-12-19)26(35)29(37)31-16-23(34)20-14-24(39-4)27(41-6)25(15-20)40-5/h8-12,14-15,18,21-23,34H,7,13,16-17H2,1-6H3,(H,31,37)(H,32,36)(H,33,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	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))	BDBM50053835 ((1-{1-[2-Hydroxy-2-(3,4,5-trimethoxy-phenyl)-ethyl...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C30H41N3O9/c1-7-21(32-28(36)22(13-18(2)3)33-30(38)42-17-19-11-9-8-10-12-19)26(35)29(37)31-16-23(34)20-14-24(39-4)27(41-6)25(15-20)40-5/h8-12,14-15,18,21-23,34H,7,13,16-17H2,1-6H3,(H,31,37)(H,32,36)(H,33,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	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