BDBM50053798 CHEMBL421910::{1-[1-(2-Hydroxy-2-naphthalen-2-yl-ethylaminooxalyl)-propylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester

SMILES: CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc2ccccc2c1

InChI Key: InChIKey=NRYJQWJSMMVVFJ-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 = 50053798   

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))	BDBM50053798 (CHEMBL421910 | {1-[1-(2-Hydroxy-2-naphthalen-2-yl-...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc2ccccc2c1 Show InChI InChI=1S/C31H37N3O6/c1-4-25(28(36)30(38)32-18-27(35)24-15-14-22-12-8-9-13-23(22)17-24)33-29(37)26(16-20(2)3)34-31(39)40-19-21-10-6-5-7-11-21/h5-15,17,20,25-27,35H,4,16,18-19H2,1-3H3,(H,32,38)(H,33,37)(H,34,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0630	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))	BDBM50053798 (CHEMBL421910 | {1-[1-(2-Hydroxy-2-naphthalen-2-yl-...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc2ccccc2c1 Show InChI InChI=1S/C31H37N3O6/c1-4-25(28(36)30(38)32-18-27(35)24-15-14-22-12-8-9-13-23(22)17-24)33-29(37)26(16-20(2)3)34-31(39)40-19-21-10-6-5-7-11-21/h5-15,17,20,25-27,35H,4,16,18-19H2,1-3H3,(H,32,38)(H,33,37)(H,34,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	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))	BDBM50053798 (CHEMBL421910 | {1-[1-(2-Hydroxy-2-naphthalen-2-yl-...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc2ccccc2c1 Show InChI InChI=1S/C31H37N3O6/c1-4-25(28(36)30(38)32-18-27(35)24-15-14-22-12-8-9-13-23(22)17-24)33-29(37)26(16-20(2)3)34-31(39)40-19-21-10-6-5-7-11-21/h5-15,17,20,25-27,35H,4,16,18-19H2,1-3H3,(H,32,38)(H,33,37)(H,34,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	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