BDBM50032226 CHEMBL3352911

SMILES: [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(-[#6]-[#6]-[#6](=O)-c2c(-[#8])cc3-[#8]C([#6])([#6])[#6]-[#6]-c3c2-[#8])ccc1-[#8]

InChI Key: InChIKey=TWJXTJFWKWMZRY-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50032226   

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 B (Homo sapiens (Human))	BDBM50032226 (CHEMBL3352911) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(-[#6]-[#6]-[#6](=O)-c2c(-[#8])cc3-[#8]C([#6])([#6])[#6]-[#6]-c3c2-[#8])ccc1-[#8] Show InChI InChI=1S/C25H30O5/c1-15(2)5-8-17-13-16(6-9-19(17)26)7-10-20(27)23-21(28)14-22-18(24(23)29)11-12-25(3,4)30-22/h5-6,9,13-14,26,28-29H,7-8,10-12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 S£o Carlos Curated by ChEMBL					Assay Description Inhibition of cathepsin B (unknown origin) using fluorometric Z-Phe-Arg-AMC as substrate by spectrofluorimetry				J Nat Prod 77: 2418-22 (2014) Article DOI: 10.1021/np500453x BindingDB Entry DOI: 10.7270/Q2TT4SJJ
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50032226 (CHEMBL3352911) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(-[#6]-[#6]-[#6](=O)-c2c(-[#8])cc3-[#8]C([#6])([#6])[#6]-[#6]-c3c2-[#8])ccc1-[#8] Show InChI InChI=1S/C25H30O5/c1-15(2)5-8-17-13-16(6-9-19(17)26)7-10-20(27)23-21(28)14-22-18(24(23)29)11-12-25(3,4)30-22/h5-6,9,13-14,26,28-29H,7-8,10-12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de S£o Carlos Curated by ChEMBL					Assay Description Inhibition of cathepsin L (unknown origin) using fluorometric Z-Phe-Arg-AMC as substrate by spectrofluorimetry				J Nat Prod 77: 2418-22 (2014) Article DOI: 10.1021/np500453x BindingDB Entry DOI: 10.7270/Q2TT4SJJ
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50032226 (CHEMBL3352911) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(-[#6]-[#6]-[#6](=O)-c2c(-[#8])cc3-[#8]C([#6])([#6])[#6]-[#6]-c3c2-[#8])ccc1-[#8] Show InChI InChI=1S/C25H30O5/c1-15(2)5-8-17-13-16(6-9-19(17)26)7-10-20(27)23-21(28)14-22-18(24(23)29)11-12-25(3,4)30-22/h5-6,9,13-14,26,28-29H,7-8,10-12H2,1-4H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de S£o Carlos Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-AMC as substrate by spectrofluorimetry				J Nat Prod 77: 2418-22 (2014) Article DOI: 10.1021/np500453x BindingDB Entry DOI: 10.7270/Q2TT4SJJ
					More data for this Ligand-Target Pair