Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 445.5 BDBM50560484

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 S (Homo sapiens (Human))	BDBM50560484 (CHEMBL4792083) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127420 BindingDB Entry DOI: 10.7270/Q2S75M1Z
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50560484 (CHEMBL4792083) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	173	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human cathepsin L using Phe-Arg-pNA as substrate measured after 60 mins by spectrophotometric assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127420 BindingDB Entry DOI: 10.7270/Q2S75M1Z
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50560484 (CHEMBL4792083) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	457	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127420 BindingDB Entry DOI: 10.7270/Q2S75M1Z
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50560484 (CHEMBL4792083) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.74E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human cathepsin B using Z-Arg-Arg-pNA as substrate measured after 60 mins by spectrophotometric assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127420 BindingDB Entry DOI: 10.7270/Q2S75M1Z
					More data for this Ligand-Target Pair