Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 346.4 BDBM19800

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cathepsin K (Homo sapiens (Human))	BDBM19800 (benzyl N-[(1S)-3-methyl-1-[(2-oxocyclopentyl)carba...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCC1=O |r| Show InChI InChI=1S/C19H26N2O4/c1-13(2)11-16(18(23)20-15-9-6-10-17(15)22)21-19(24)25-12-14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3,(H,20,23)(H,21,24)/t15?,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	>-28.3	n/a	n/a	n/a	n/a	n/a	5.5	22
GSK					Assay Description Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...				J Med Chem 44: 725-36 (2001) Article DOI: 10.1021/jm000320t BindingDB Entry DOI: 10.7270/Q2J67F6C
					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin S (Homo sapiens (Human))	BDBM19800 (benzyl N-[(1S)-3-methyl-1-[(2-oxocyclopentyl)carba...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCC1=O |r| Show InChI InChI=1S/C19H26N2O4/c1-13(2)11-16(18(23)20-15-9-6-10-17(15)22)21-19(24)25-12-14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3,(H,20,23)(H,21,24)/t15?,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...				J Med Chem 44: 725-36 (2001) Article DOI: 10.1021/jm000320t BindingDB Entry DOI: 10.7270/Q2J67F6C
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19800 (benzyl N-[(1S)-3-methyl-1-[(2-oxocyclopentyl)carba...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCC1=O |r| Show InChI InChI=1S/C19H26N2O4/c1-13(2)11-16(18(23)20-15-9-6-10-17(15)22)21-19(24)25-12-14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3,(H,20,23)(H,21,24)/t15?,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...				J Med Chem 44: 725-36 (2001) Article DOI: 10.1021/jm000320t BindingDB Entry DOI: 10.7270/Q2J67F6C
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM19800 (benzyl N-[(1S)-3-methyl-1-[(2-oxocyclopentyl)carba...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCC1=O |r| Show InChI InChI=1S/C19H26N2O4/c1-13(2)11-16(18(23)20-15-9-6-10-17(15)22)21-19(24)25-12-14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3,(H,20,23)(H,21,24)/t15?,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	>-28.3	n/a	n/a	n/a	n/a	n/a	5.5	22
GSK					Assay Description Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...				J Med Chem 44: 725-36 (2001) Article DOI: 10.1021/jm000320t BindingDB Entry DOI: 10.7270/Q2J67F6C
					More data for this Ligand-Target Pair