BindingDB PrimarySearch

BDBM50012070 5-Hydroxy-2-methyl-[1,4]naphthoquinone::5-hydroxy-2-methylnaphthalene-1,4-dione::CHEMBL295316::Plumbagin (6b)::Pumbagin::plumbagin

SMILES: CC1=CC(=O)c2c(O)cccc2C1=O

InChI Key: InChIKey=VCMMXZQDRFWYSE-UHFFFAOYSA-N

Data: 20 IC50 1 Kd 2 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50012070
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50012070 (5-Hydroxy-2-methyl-[1,4]naphthoquinone \| 5-hydroxy...) Show SMILES CC1=CC(=O)c2c(O)cccc2C1=O \|t:1\| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
North-West University					Assay Description The protocol for measuring IC50 values for the inhibition of MAO-A and MAO-B has been reported in detail in a recent publication (26). The recombinan...				Chem Biol Drug Des 87: 737-46 (2016) Article DOI: 10.1111/cbdd.12708 BindingDB Entry DOI: 10.7270/Q2MG7N84
North-West University					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50012070 (5-Hydroxy-2-methyl-[1,4]naphthoquinone \| 5-hydroxy...) Show SMILES CC1=CC(=O)c2c(O)cccc2C1=O \|t:1\| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	1.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50012070 (5-Hydroxy-2-methyl-[1,4]naphthoquinone \| 5-hydroxy...) Show SMILES CC1=CC(=O)c2c(O)cccc2C1=O \|t:1\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université Lille II Curated by ChEMBL					Assay Description Concentration required for inhibition of Trypanothione reductase (TcTR) from Trypanosoma cruzi in the presence of 50 uM TS2 as substrate				Bioorg Med Chem Lett 10: 631-5 (2000) BindingDB Entry DOI: 10.7270/Q2V9879F
Université Lille II Curated by ChEMBL					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50012070 (5-Hydroxy-2-methyl-[1,4]naphthoquinone \| 5-hydroxy...) Show SMILES CC1=CC(=O)c2c(O)cccc2C1=O \|t:1\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					More data for this Ligand-Target Pair
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50012070 (5-Hydroxy-2-methyl-[1,4]naphthoquinone \| 5-hydroxy...) Show SMILES CC1=CC(=O)c2c(O)cccc2C1=O \|t:1\| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of full length recombinant His6-tagged p300 (unknown origin) expressed in baculovirus expression system using histone substrate after 10 m...				J Med Chem 59: 1249-70 (2016) BindingDB Entry DOI: 10.7270/Q2DV1MRN
University of Freiburg Curated by ChEMBL					More data for this Ligand-Target Pair
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50012070 (5-Hydroxy-2-methyl-[1,4]naphthoquinone \| 5-hydroxy...) Show SMILES CC1=CC(=O)c2c(O)cccc2C1=O \|t:1\| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged p300 catalytic domain (1284 to1673 residues) (unknown origin) expressed in baculovirus expression system using ...				J Med Chem 59: 1249-70 (2016) BindingDB Entry DOI: 10.7270/Q2DV1MRN
University of Freiburg Curated by ChEMBL					More data for this Ligand-Target Pair
Histone acetyltransferase PCAF (Homo sapiens (Human))	BDBM50012070 (5-Hydroxy-2-methyl-[1,4]naphthoquinone \| 5-hydroxy...) Show SMILES CC1=CC(=O)c2c(O)cccc2C1=O \|t:1\| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of recombinant PCAF (unknown origin) expressed in baculovirus expression system using histone substrate after 10 mins by liquid scintillat...				J Med Chem 59: 1249-70 (2016) BindingDB Entry DOI: 10.7270/Q2DV1MRN
University of Freiburg Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50012070 (5-Hydroxy-2-methyl-[1,4]naphthoquinone \| 5-hydroxy...) Show SMILES CC1=CC(=O)c2c(O)cccc2C1=O \|t:1\| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG 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
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-fused NIK expressed in Sf9 cells after 60 mins by radiometric protein kinase assay				Bioorg Med Chem Lett 20: 4515-20 (2010) Article DOI: 10.1016/j.bmcl.2010.06.027 BindingDB Entry DOI: 10.7270/Q2D79BKX
University of Namur Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7 (MAP2K7) (Homo sapiens (Human))	BDBM50012070 (5-Hydroxy-2-methyl-[1,4]naphthoquinone \| 5-hydroxy...) Show SMILES CC1=CC(=O)c2c(O)cccc2C1=O \|t:1\| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a
Montana State University Curated by ChEMBL					Assay Description Binding affinity to MKK7 (unknown origin) expressed in HEK293 cells assessed as dissociation constant by kinomescan method				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111719
Montana State University Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50012070 (5-Hydroxy-2-methyl-[1,4]naphthoquinone \| 5-hydroxy...) Show SMILES CC1=CC(=O)c2c(O)cccc2C1=O \|t:1\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Montana State University Curated by ChEMBL					Assay Description Inhibition of recombinant Cdc25B (unknown origin) using OMFP as substrate measured every 30 sec for 10 mins by fluorometric assay				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111719
Montana State University Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25A (Homo sapiens (Human))	BDBM50012070 (5-Hydroxy-2-methyl-[1,4]naphthoquinone \| 5-hydroxy...) Show SMILES CC1=CC(=O)c2c(O)cccc2C1=O \|t:1\| Show InChI	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Montana State University Curated by ChEMBL					Assay Description Inhibition of recombinant Cdc25A (unknown origin) using OMFP as substrate measured every 30 sec for 10 mins by fluorometric assay				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111719
Montana State University Curated by ChEMBL					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50012070 (5-Hydroxy-2-methyl-[1,4]naphthoquinone \| 5-hydroxy...) Show SMILES CC1=CC(=O)c2c(O)cccc2C1=O \|t:1\| Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xavier University of Louisiana Curated by ChEMBL					Assay Description Inhibition of HER2 (unknown origin) by ADP-Glo assay				Bioorg Med Chem Lett 24: 126-31 (2014) Article DOI: 10.1016/j.bmcl.2013.11.064 BindingDB Entry DOI: 10.7270/Q2WH2SZP
Xavier University of Louisiana Curated by ChEMBL					More data for this Ligand-Target Pair
60 kDa chaperonin (Escherichia coli)	BDBM50012070 (5-Hydroxy-2-methyl-[1,4]naphthoquinone \| 5-hydroxy...) Show SMILES CC1=CC(=O)c2c(O)cccc2C1=O \|t:1\| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys...				Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
HSP60/HSP10 (Homo sapiens)	BDBM50012070 (5-Hydroxy-2-methyl-[1,4]naphthoquinone \| 5-hydroxy...) Show SMILES CC1=CC(=O)c2c(O)cccc2C1=O \|t:1\| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...				Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Thiosulfate sulfurtransferase (Homo sapiens)	BDBM50012070 (5-Hydroxy-2-methyl-[1,4]naphthoquinone \| 5-hydroxy...) Show SMILES CC1=CC(=O)c2c(O)cccc2C1=O \|t:1\| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...				Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
10 kDa chaperonin (Escherichia coli)	BDBM50012070 (5-Hydroxy-2-methyl-[1,4]naphthoquinone \| 5-hydroxy...) Show SMILES CC1=CC(=O)c2c(O)cccc2C1=O \|t:1\| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...				Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
10 kDa chaperonin (Escherichia coli)	BDBM50012070 (5-Hydroxy-2-methyl-[1,4]naphthoquinone \| 5-hydroxy...) Show SMILES CC1=CC(=O)c2c(O)cccc2C1=O \|t:1\| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...				Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50012070 (5-Hydroxy-2-methyl-[1,4]naphthoquinone \| 5-hydroxy...) Show SMILES CC1=CC(=O)c2c(O)cccc2C1=O \|t:1\| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	460	n/a	n/a	n/a	n/a
Universit£t Leipzig Curated by ChEMBL					Assay Description Activation of human TRPA1 expressed in HEK293 cells assessed as increase in calcium level by fluo-4 dye based plate reader analysis				J Nat Prod 79: 697-703 (2016) Article DOI: 10.1021/acs.jnatprod.5b00396
Universit£t Leipzig Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50012070 (5-Hydroxy-2-methyl-[1,4]naphthoquinone \| 5-hydroxy...) Show SMILES CC1=CC(=O)c2c(O)cccc2C1=O \|t:1\| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	460	n/a	n/a	n/a	n/a
Universit£t Leipzig Curated by ChEMBL					Assay Description Activation of human TRPA1 expressed in HEK293 cells assessed as increase in calcium level by fluo-4 dye based plate reader analysis				J Nat Prod 79: 697-703 (2016) Article DOI: 10.1021/acs.jnatprod.5b00396
Universit£t Leipzig Curated by ChEMBL					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2A/KAT2B (Homo sapiens (Human))	BDBM50012070 (5-Hydroxy-2-methyl-[1,4]naphthoquinone \| 5-hydroxy...) Show SMILES CC1=CC(=O)c2c(O)cccc2C1=O \|t:1\| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of PCAF in human HeLa cells using [3H]-acetyl-CoA as substrate preincubated for 10 mins followed by substrate addition measured after 10 m...				Eur J Med Chem 178: 259-286 (2019) Article DOI: 10.1016/j.ejmech.2019.05.078
Sichuan University Curated by ChEMBL					More data for this Ligand-Target Pair
HIF1A/p300/CREB-binding protein (Homo sapiens (Human))	BDBM50012070 (5-Hydroxy-2-methyl-[1,4]naphthoquinone \| 5-hydroxy...) Show SMILES CC1=CC(=O)c2c(O)cccc2C1=O \|t:1\| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Displacement of [3H]-acetyl-CoA from recombinant P300 (unknown origin) expressed in baculovirus expression system preincubated for 10 mins followed b...				Eur J Med Chem 178: 259-286 (2019) Article DOI: 10.1016/j.ejmech.2019.05.078
Sichuan University Curated by ChEMBL					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2A/KAT2B (Homo sapiens (Human))	BDBM50012070 (5-Hydroxy-2-methyl-[1,4]naphthoquinone \| 5-hydroxy...) Show SMILES CC1=CC(=O)c2c(O)cccc2C1=O \|t:1\| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Displacement of [3H]-acetyl-CoA from recombinant PCAF (unknown origin) expressed in baculovirus expression system preincubated for 10 mins followed b...				Eur J Med Chem 178: 259-286 (2019) Article DOI: 10.1016/j.ejmech.2019.05.078
Sichuan University Curated by ChEMBL					More data for this Ligand-Target Pair
HIF1A/p300/CREB-binding protein (Homo sapiens (Human))	BDBM50012070 (5-Hydroxy-2-methyl-[1,4]naphthoquinone \| 5-hydroxy...) Show SMILES CC1=CC(=O)c2c(O)cccc2C1=O \|t:1\| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of P300 in human HeLa cells using [3H]-acetyl-CoA as substrate preincubated for 10 mins followed by substrate addition measured after 10 m...				Eur J Med Chem 178: 259-286 (2019) Article DOI: 10.1016/j.ejmech.2019.05.078
Sichuan University Curated by ChEMBL					More data for this Ligand-Target Pair
Monoamine oxidase B (MAO-B) (Homo sapiens (Human))	BDBM50012070 (5-Hydroxy-2-methyl-[1,4]naphthoquinone \| 5-hydroxy...) Show SMILES CC1=CC(=O)c2c(O)cccc2C1=O \|t:1\| Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
North-West University					Assay Description The protocol for measuring IC50 values for the inhibition of MAO-A and MAO-B has been reported in detail in a recent publication (26). The recombinan...				Chem Biol Drug Des 87: 737-46 (2016) Article DOI: 10.1111/cbdd.12708 BindingDB Entry DOI: 10.7270/Q2MG7N84
North-West University					More data for this Ligand-Target Pair