BDBM50336481 CHEMBL451705::citrusinine I::citrusinine-I

SMILES: COc1cc(O)c2c(c1OC)n(C)c1c(O)cccc1c2=O

InChI Key: InChIKey=UTEAJHNFBCLZHN-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50336481   

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 L2 (Homo sapiens (Human))	BDBM50336481 (CHEMBL451705 | citrusinine I | citrusinine-I) Show SMILES COc1cc(O)c2c(c1OC)n(C)c1c(O)cccc1c2=O Show InChI InChI=1S/C16H15NO5/c1-17-13-8(5-4-6-9(13)18)15(20)12-10(19)7-11(21-2)16(22-3)14(12)17/h4-7,18-19H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	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 human recombinant cathepsin V expressed in Pichia pastoris by Lineweaver-Burk double-reciprocal plots				Bioorg Med Chem 19: 1477-81 (2011) Article DOI: 10.1016/j.bmc.2010.12.056 BindingDB Entry DOI: 10.7270/Q2QJ7HK4
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM50336481 (CHEMBL451705 | citrusinine I | citrusinine-I) Show SMILES COc1cc(O)c2c(c1OC)n(C)c1c(O)cccc1c2=O Show InChI InChI=1S/C16H15NO5/c1-17-13-8(5-4-6-9(13)18)15(20)12-10(19)7-11(21-2)16(22-3)14(12)17/h4-7,18-19H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+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 human recombinant cathepsin V expressed in Pichia pastoris				Bioorg Med Chem 19: 1477-81 (2011) Article DOI: 10.1016/j.bmc.2010.12.056 BindingDB Entry DOI: 10.7270/Q2QJ7HK4
					More data for this Ligand-Target Pair