BDBM50032240 CHEMBL3352910

SMILES: CC1(C)CCc2cc(CCC(=O)c3c(O)cc4OC(C)(C)CCc4c3O)ccc2O1

InChI Key: InChIKey=ROJMZFPQONDKBB-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 = 50032240   

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))	BDBM50032240 (CHEMBL3352910) Show SMILES CC1(C)CCc2cc(CCC(=O)c3c(O)cc4OC(C)(C)CCc4c3O)ccc2O1 Show InChI InChI=1S/C25H30O5/c1-24(2)11-9-16-13-15(6-8-20(16)29-24)5-7-18(26)22-19(27)14-21-17(23(22)28)10-12-25(3,4)30-21/h6,8,13-14,27-28H,5,7,9-12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.49E+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 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))	BDBM50032240 (CHEMBL3352910) Show SMILES CC1(C)CCc2cc(CCC(=O)c3c(O)cc4OC(C)(C)CCc4c3O)ccc2O1 Show InChI InChI=1S/C25H30O5/c1-24(2)11-9-16-13-15(6-8-20(16)29-24)5-7-18(26)22-19(27)14-21-17(23(22)28)10-12-25(3,4)30-21/h6,8,13-14,27-28H,5,7,9-12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 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)	BDBM50032240 (CHEMBL3352910) Show SMILES CC1(C)CCc2cc(CCC(=O)c3c(O)cc4OC(C)(C)CCc4c3O)ccc2O1 Show InChI InChI=1S/C25H30O5/c1-24(2)11-9-16-13-15(6-8-20(16)29-24)5-7-18(26)22-19(27)14-21-17(23(22)28)10-12-25(3,4)30-21/h6,8,13-14,27-28H,5,7,9-12H2,1-4H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.16E+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