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SMILES: CC(COc1ccccc1)N=Nc1nc(O)cs1

InChI Key: InChIKey=UXUUVYNIDODIRZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50400190   

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
Procathepsin L (Homo sapiens (Human))	BDBM50400190 (CHEMBL2180354) Show SMILES CC(COc1ccccc1)N=Nc1nc(O)cs1 |w:10.10| Show InChI InChI=1S/C12H13N3O2S/c1-9(7-17-10-5-3-2-4-6-10)14-15-12-13-11(16)8-18-12/h2-6,8-9,16H,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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
Cathepsin S (Homo sapiens (Human))	BDBM50400190 (CHEMBL2180354) Show SMILES CC(COc1ccccc1)N=Nc1nc(O)cs1 |w:10.10| Show InChI InChI=1S/C12H13N3O2S/c1-9(7-17-10-5-3-2-4-6-10)14-15-12-13-11(16)8-18-12/h2-6,8-9,16H,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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