BDBM33201 2-methyl-5,8-bis(oxidanyl)naphthalene-1,4-dione::5,8-dihydroxy-2-methyl-1,4-naphthoquinone::5,8-dihydroxy-2-methylnaphthalene-1,4-dione::MLS001048870::SMR000387073::cid_271296

SMILES: CC1=CC(=O)c2c(O)ccc(O)c2C1=O

InChI Key: InChIKey=YKPXIWHBRBFRQM-UHFFFAOYSA-N

Data: 6 IC50  2 EC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains 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 8 hits for monomerid = 33201   

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
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM33201 (2-methyl-5,8-bis(oxidanyl)naphthalene-1,4-dione | ...) Show SMILES CC1=CC(=O)c2c(O)ccc(O)c2C1=O |t:1| Show InChI InChI=1S/C11H8O4/c1-5-4-8(14)9-6(12)2-3-7(13)10(9)11(5)15/h2-4,12-13H,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.87E+3	n/a	n/a	7.4	4
NMMLSC Curated by PubChem BioAssay					Assay Description The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2CN728N
					More data for this Ligand-Target Pair
glutathione S-transferase (Homo sapiens (Human))	BDBM33201 (2-methyl-5,8-bis(oxidanyl)naphthalene-1,4-dione | ...) Show SMILES CC1=CC(=O)c2c(O)ccc(O)c2C1=O |t:1| Show InChI InChI=1S/C11H8O4/c1-5-4-8(14)9-6(12)2-3-7(13)10(9)11(5)15/h2-4,12-13H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.14E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2M61HPT
					More data for this Ligand-Target Pair
eukaryotic translation initiation factor 4 gamma, 1 isoform 4 (Homo sapiens (Human))	BDBM33201 (2-methyl-5,8-bis(oxidanyl)naphthalene-1,4-dione | ...) Show SMILES CC1=CC(=O)c2c(O)ccc(O)c2C1=O |t:1| Show InChI InChI=1S/C11H8O4/c1-5-4-8(14)9-6(12)2-3-7(13)10(9)11(5)15/h2-4,12-13H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2RN3686
					More data for this Ligand-Target Pair
Thioredoxin reductase 1 (TrxR) (Homo sapiens (Human))	BDBM33201 (2-methyl-5,8-bis(oxidanyl)naphthalene-1,4-dione | ...) Show SMILES CC1=CC(=O)c2c(O)ccc(O)c2C1=O |t:1| Show InChI InChI=1S/C11H8O4/c1-5-4-8(14)9-6(12)2-3-7(13)10(9)11(5)15/h2-4,12-13H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Inhibition of TrxR1 in human HL60 cells incubated for 24 hrs by endpoint insulin reduction assay				Eur J Med Chem 140: 435-447 (2017) Article DOI: 10.1016/j.ejmech.2017.09.027 BindingDB Entry DOI: 10.7270/Q2CR5WWX
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 REV (Human immunodeficiency virus 1)	BDBM33201 (2-methyl-5,8-bis(oxidanyl)naphthalene-1,4-dione | ...) Show SMILES CC1=CC(=O)c2c(O)ccc(O)c2C1=O |t:1| Show InChI InChI=1S/C11H8O4/c1-5-4-8(14)9-6(12)2-3-7(13)10(9)11(5)15/h2-4,12-13H,1H3	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>7.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q29W0CZG
					More data for this Ligand-Target Pair
defective in Germ Line Development family member (gld-1) (Caenorhabditis elegans)	BDBM33201 (2-methyl-5,8-bis(oxidanyl)naphthalene-1,4-dione | ...) Show SMILES CC1=CC(=O)c2c(O)ccc(O)c2C1=O |t:1| Show InChI InChI=1S/C11H8O4/c1-5-4-8(14)9-6(12)2-3-7(13)10(9)11(5)15/h2-4,12-13H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	5.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2QC01ZW
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Rattus norvegicus)	BDBM33201 (2-methyl-5,8-bis(oxidanyl)naphthalene-1,4-dione | ...) Show SMILES CC1=CC(=O)c2c(O)ccc(O)c2C1=O |t:1| Show InChI InChI=1S/C11H8O4/c1-5-4-8(14)9-6(12)2-3-7(13)10(9)11(5)15/h2-4,12-13H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Inhibition of NADPH-reduced rat TrxR1 assessed as suppression of DTNB reduction incubated for 1 hr				Eur J Med Chem 140: 435-447 (2017) Article DOI: 10.1016/j.ejmech.2017.09.027 BindingDB Entry DOI: 10.7270/Q2CR5WWX
					More data for this Ligand-Target Pair
core protein (Hepatitis C virus)	BDBM33201 (2-methyl-5,8-bis(oxidanyl)naphthalene-1,4-dione | ...) Show SMILES CC1=CC(=O)c2c(O)ccc(O)c2C1=O |t:1| Show InChI InChI=1S/C11H8O4/c1-5-4-8(14)9-6(12)2-3-7(13)10(9)11(5)15/h2-4,12-13H,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>4.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29Z939R
					More data for this Ligand-Target Pair