BDBM50107000 6-Acetyl-5-hydroxy-2-methoxy-7-methyl-[1,4]naphthoquinone::CHEMBL322776

SMILES: COC1=CC(=O)c2c(O)c(C(C)=O)c(C)cc2C1=O

InChI Key: InChIKey=SSHJHOVVYKCJJI-UHFFFAOYSA-N

Data: 2 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 = 50107000   

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
Papain (Carica papaya)	BDBM50107000 (6-Acetyl-5-hydroxy-2-methoxy-7-methyl-[1,4]naphtho...) Show SMILES COC1=CC(=O)c2c(O)c(C(C)=O)c(C)cc2C1=O |t:2| Show InChI InChI=1S/C14H12O5/c1-6-4-8-12(14(18)11(6)7(2)15)9(16)5-10(19-3)13(8)17/h4-5,18H,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against papain using HPLC assay				Bioorg Med Chem Lett 11: 3143-6 (2001) BindingDB Entry DOI: 10.7270/Q2T43SDG
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50107000 (6-Acetyl-5-hydroxy-2-methoxy-7-methyl-[1,4]naphtho...) Show SMILES COC1=CC(=O)c2c(O)c(C(C)=O)c(C)cc2C1=O |t:2| Show InChI InChI=1S/C14H12O5/c1-6-4-8-12(14(18)11(6)7(2)15)9(16)5-10(19-3)13(8)17/h4-5,18H,1-3H3	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against HRV 3Cpro using HPLC assay				Bioorg Med Chem Lett 11: 3143-6 (2001) BindingDB Entry DOI: 10.7270/Q2T43SDG
					More data for this Ligand-Target Pair