BDBM24779 2-Hydroxy-[1,4]naphthoquinone::2-hydroxy-1,4-dihydronaphthalene-1,4-dione::2-hydroxy-1,4-naphthoquinone, 7::CHEMBL42905

SMILES: O=C1CC(=O)c2ccccc2C1=O

InChI Key: InChIKey=SLJWCCMDGTZEGQ-UHFFFAOYSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer. 3 PDB IDs contain this monomer as substructures. 3 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 5 hits for monomerid = 24779   

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
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM24779 (2-Hydroxy-[1,4]naphthoquinone | 2-hydroxy-1,4-dihy...) Show SMILES O=C1CC(=O)c2ccccc2C1=O Show InChI InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-4H,5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.75E+5	n/a	n/a	n/a	n/a	6.5	37
Bryn Mawr College					Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...				J Med Chem 51: 1706-18 (2008) Article DOI: 10.1021/jm7014155 BindingDB Entry DOI: 10.7270/Q2VD6WSV
					More data for this Ligand-Target Pair
Human rhinovirus A protease (Human rhinovirus B)	BDBM24779 (2-Hydroxy-[1,4]naphthoquinone | 2-hydroxy-1,4-dihy...) Show SMILES O=C1CC(=O)c2ccccc2C1=O Show InChI InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-4H,5H2	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.50E+5	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
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM24779 (2-Hydroxy-[1,4]naphthoquinone | 2-hydroxy-1,4-dihy...) Show SMILES O=C1CC(=O)c2ccccc2C1=O Show InChI InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-4H,5H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 39: 2472-81 (1996) Article DOI: 10.1021/jm960074e BindingDB Entry DOI: 10.7270/Q2DR2W5P
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM24779 (2-Hydroxy-[1,4]naphthoquinone | 2-hydroxy-1,4-dihy...) Show SMILES O=C1CC(=O)c2ccccc2C1=O Show InChI InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-4H,5H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				J Med Chem 39: 2472-81 (1996) Article DOI: 10.1021/jm960074e BindingDB Entry DOI: 10.7270/Q2DR2W5P
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM24779 (2-Hydroxy-[1,4]naphthoquinone | 2-hydroxy-1,4-dihy...) Show SMILES O=C1CC(=O)c2ccccc2C1=O Show InChI InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-4H,5H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				J Med Chem 39: 2472-81 (1996) Article DOI: 10.1021/jm960074e BindingDB Entry DOI: 10.7270/Q2DR2W5P
					More data for this Ligand-Target Pair