BDBM50053828 CHEMBL439798::{3-Methyl-1-[1-(pyridin-3-ylmethyl)-aminooxalyl]-propylcarbamoyl}-butyl)-carbamic acid benzyl ester

SMILES: CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1cccnc1

InChI Key: InChIKey=CSEQELKKZCIQEX-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 = 50053828   

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))	BDBM50053828 (CHEMBL439798 | {3-Methyl-1-[1-(pyridin-3-ylmethyl)...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1cccnc1 Show InChI InChI=1S/C25H32N4O5/c1-4-20(22(30)24(32)27-15-19-11-8-12-26-14-19)28-23(31)21(13-17(2)3)29-25(33)34-16-18-9-6-5-7-10-18/h5-12,14,17,20-21H,4,13,15-16H2,1-3H3,(H,27,32)(H,28,31)(H,29,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 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 (Homo sapiens (Human))	BDBM50053828 (CHEMBL439798 | {3-Methyl-1-[1-(pyridin-3-ylmethyl)...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1cccnc1 Show InChI InChI=1S/C25H32N4O5/c1-4-20(22(30)24(32)27-15-19-11-8-12-26-14-19)28-23(31)21(13-17(2)3)29-25(33)34-16-18-9-6-5-7-10-18/h5-12,14,17,20-21H,4,13,15-16H2,1-3H3,(H,27,32)(H,28,31)(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	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