BDBM50053856 CHEMBL131781::{1-[1-(5-Hydroxy-1,3,3-trimethyl-cyclohexylmethyl)-aminooxalyl]-propylcarbamoyl}-3-methyl-butyl)-carbamic acid benzyl ester

SMILES: CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC1(C)CC(O)CC(C)(C)C1

InChI Key: InChIKey=RVUJRRBCTAYDMG-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 = 50053856   

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))	BDBM50053856 (CHEMBL131781 | {1-[1-(5-Hydroxy-1,3,3-trimethyl-cy...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC1(C)CC(O)CC(C)(C)C1 Show InChI InChI=1S/C29H45N3O6/c1-7-22(24(34)26(36)30-18-29(6)15-21(33)14-28(4,5)17-29)31-25(35)23(13-19(2)3)32-27(37)38-16-20-11-9-8-10-12-20/h8-12,19,21-23,33H,7,13-18H2,1-6H3,(H,30,36)(H,31,35)(H,32,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0690	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))	BDBM50053856 (CHEMBL131781 | {1-[1-(5-Hydroxy-1,3,3-trimethyl-cy...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC1(C)CC(O)CC(C)(C)C1 Show InChI InChI=1S/C29H45N3O6/c1-7-22(24(34)26(36)30-18-29(6)15-21(33)14-28(4,5)17-29)31-25(35)23(13-19(2)3)32-27(37)38-16-20-11-9-8-10-12-20/h8-12,19,21-23,33H,7,13-18H2,1-6H3,(H,30,36)(H,31,35)(H,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.420	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
Cathepsin B (Homo sapiens (Human))	BDBM50053856 (CHEMBL131781 | {1-[1-(5-Hydroxy-1,3,3-trimethyl-cy...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC1(C)CC(O)CC(C)(C)C1 Show InChI InChI=1S/C29H45N3O6/c1-7-22(24(34)26(36)30-18-29(6)15-21(33)14-28(4,5)17-29)31-25(35)23(13-19(2)3)32-27(37)38-16-20-11-9-8-10-12-20/h8-12,19,21-23,33H,7,13-18H2,1-6H3,(H,30,36)(H,31,35)(H,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.890	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