null

SMILES: CC(C)C1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1

InChI Key: InChIKey=RRXTULKMGZYRRL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50400185   

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))	BDBM50400185 (CHEMBL2180342) Show SMILES CC(C)C1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1 |w:7.6,5.18| Show InChI InChI=1S/C21H23N3O2S/c1-15(2)19-20(25)24(17-10-6-4-7-11-17)21(27-19)23-22-16(3)14-26-18-12-8-5-9-13-18/h4-13,15,19H,14H2,1-3H3	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)	BDBM50400185 (CHEMBL2180342) Show SMILES CC(C)C1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1 |w:7.6,5.18| Show InChI InChI=1S/C21H23N3O2S/c1-15(2)19-20(25)24(17-10-6-4-7-11-17)21(27-19)23-22-16(3)14-26-18-12-8-5-9-13-18/h4-13,15,19H,14H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	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))	BDBM50400185 (CHEMBL2180342) Show SMILES CC(C)C1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1 |w:7.6,5.18| Show InChI InChI=1S/C21H23N3O2S/c1-15(2)19-20(25)24(17-10-6-4-7-11-17)21(27-19)23-22-16(3)14-26-18-12-8-5-9-13-18/h4-13,15,19H,14H2,1-3H3	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