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SMILES: CC(COc1ccccc1)=NN=C1SCC(=O)N1c1ccccc1

InChI Key: InChIKey=ZVSRDAJEMDFAEZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50400187   

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 S (Homo sapiens (Human))	BDBM50400187 (CHEMBL2180339) Show SMILES CC(COc1ccccc1)=NN=C1SCC(=O)N1c1ccccc1 |w:10.11,12.18| Show InChI InChI=1S/C18H17N3O2S/c1-14(12-23-16-10-6-3-7-11-16)19-20-18-21(17(22)13-24-18)15-8-4-2-5-9-15/h2-11H,12-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant cathepsin S using ZFR-pNA as substrate preincubated for 45 mins				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50400187 (CHEMBL2180339) Show SMILES CC(COc1ccccc1)=NN=C1SCC(=O)N1c1ccccc1 |w:10.11,12.18| Show InChI InChI=1S/C18H17N3O2S/c1-14(12-23-16-10-6-3-7-11-16)19-20-18-21(17(22)13-24-18)15-8-4-2-5-9-15/h2-11H,12-13H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50400187 (CHEMBL2180339) Show SMILES CC(COc1ccccc1)=NN=C1SCC(=O)N1c1ccccc1 |w:10.11,12.18| Show InChI InChI=1S/C18H17N3O2S/c1-14(12-23-16-10-6-3-7-11-16)19-20-18-21(17(22)13-24-18)15-8-4-2-5-9-15/h2-11H,12-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant cathepsin L using ZFR-pNA as substrate preincubated for 45 mins				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair