BDBM50336479 CHEMBL1668598::glycocitrine-I

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2c1n(-[#6])c1c(-[#8])cccc1c2=O

InChI Key: InChIKey=OPPJKACRWCPJGU-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 = 50336479   

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))	BDBM50336479 (CHEMBL1668598 | glycocitrine-I) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2c1n(-[#6])c1c(-[#8])cccc1c2=O Show InChI InChI=1S/C19H19NO4/c1-10(2)7-8-11-14(22)9-15(23)16-18(11)20(3)17-12(19(16)24)5-4-6-13(17)21/h4-7,9,21-23H,8H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.00E+4	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))	BDBM50336479 (CHEMBL1668598 | glycocitrine-I) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2c1n(-[#6])c1c(-[#8])cccc1c2=O Show InChI InChI=1S/C19H19NO4/c1-10(2)7-8-11-14(22)9-15(23)16-18(11)20(3)17-12(19(16)24)5-4-6-13(17)21/h4-7,9,21-23H,8H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+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 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