BindingDB PrimarySearch

BDBM24778 2-methyl-1,4-dihydronaphthalene-1,4-dione::2-methyl-1,4-naphthoquinone, 5::CHEMBL590::Menadione::Menadione (5d)::Menadione (Vitamin K3)::Menadione, 9::Vitamin K3::cid_4055

SMILES: CC1=CC(=O)c2ccccc2C1=O

InChI Key: InChIKey=MJVAVZPDRWSRRC-UHFFFAOYSA-N

Data: 7 KI 34 IC50

PDB links: 4 PDB IDs match this monomer. 25 PDB IDs contain this monomer as substructures. 25 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 40 hits for monomerid = 24778
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] B (Homo sapiens (Human))	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Rio de Janeiro Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using benzylamine as substrate by Lineweaver-Burk pl...				Bioorg Med Chem 19: 7416-24 (2011) Article DOI: 10.1016/j.bmc.2011.10.049 BindingDB Entry DOI: 10.7270/Q2571CFB
Federal University of Rio de Janeiro Curated by ChEMBL					More data for this Ligand-Target Pair
Aldehyde oxidase (Homo sapiens (Human))	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Competitive inhibition of human liver cytosolic aldehyde oxidase using DACA as substrate assessed as free enzyme by Lineweaver-Burk plot analysis				Drug Metab Dispos 41: 24-9 (2012) Article DOI: 10.1124/dmd.112.048546 BindingDB Entry DOI: 10.7270/Q2RF5WRF
Washington State University Curated by ChEMBL					More data for this Ligand-Target Pair
Aldehyde oxidase (Homo sapiens (Human))	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Uncompetitive inhibition of human liver cytosolic aldehyde oxidase using DACA as substrate assessed as enzyme-substrate complex by Lineweaver-Burk pl...				Drug Metab Dispos 41: 24-9 (2012) Article DOI: 10.1124/dmd.112.048546 BindingDB Entry DOI: 10.7270/Q2RF5WRF
Washington State University Curated by ChEMBL					More data for this Ligand-Target Pair
Aldehyde oxidase (AO) (Cavia porcellus (Guinea pig))	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.23E+3	n/a	3.18E+4	n/a	n/a	n/a	n/a	7.0	n/a
Kermanshah University of Medical Sciences					Assay Description Guinea pig AO activity was assayed spectrophotometrically using phenanthridine as a substrate at 322 nm. All spectrophotometric determinations were c...				Bioorg Chem 64: 74-84 (2016) Article DOI: 10.1016/j.bioorg.2015.12.004 BindingDB Entry DOI: 10.7270/Q2MP522Q
Kermanshah University of Medical Sciences					More data for this Ligand-Target Pair
Glutathione reductase (GR) (Homo sapiens (Human))	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibitory concentration against human glutathione reductase (In presence of glutathione disulfide)				J Med Chem 47: 5972-83 (2004) Article DOI: 10.1021/jm0497545 BindingDB Entry DOI: 10.7270/Q20R9NW4
Université Libre de Bruxelles Curated by ChEMBL					More data for this Ligand-Target Pair
Glutathione reductase (GR) (Homo sapiens (Human))	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibitory concentration against human glutathione reductase (In presence of NADPH)				J Med Chem 47: 5972-83 (2004) Article DOI: 10.1021/jm0497545 BindingDB Entry DOI: 10.7270/Q20R9NW4
Université Libre de Bruxelles Curated by ChEMBL					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Rio de Janeiro Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using p-tyramine as substrate by Lineweaver-Burk plo...				Bioorg Med Chem 19: 7416-24 (2011) Article DOI: 10.1016/j.bmc.2011.10.049 BindingDB Entry DOI: 10.7270/Q2571CFB
Federal University of Rio de Janeiro Curated by ChEMBL					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.02E+4	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
Monoamine oxidase B (MAO-B) (Homo sapiens (Human))	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.02E+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
Trypanothione reductase (Trypanosoma cruzi)	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	5.50E+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)	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	5.50E+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
Cdc25C (Homo sapiens (Human))	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut Henri Beaufour Curated by ChEMBL					Assay Description Inhibitory activity against recombinant CDC25C				Bioorg Med Chem Lett 16: 171-5 (2005) Article DOI: 10.1016/j.bmcl.2005.09.030 BindingDB Entry DOI: 10.7270/Q2T1535S
Institut Henri Beaufour Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Polytechnic Institute and State University Curated by ChEMBL					Assay Description Inhibition of histidine-tagged human recombinant Cdc25B catalytic domain expressed in Escherichia coli				Bioorg Med Chem 17: 2276-81 (2009) Article DOI: 10.1016/j.bmc.2008.10.090 BindingDB Entry DOI: 10.7270/Q21J99MN
					More data for this Ligand-Target Pair
MKP-3 (Rattus norvegicus)	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Polytechnic Institute and State University Curated by ChEMBL					Assay Description Inhibition of histidine-tagged rat recombinant MKP3 catalytic domain expressed in Escherichia coli BL21(DE3)				Bioorg Med Chem 17: 2276-81 (2009) Article DOI: 10.1016/j.bmc.2008.10.090 BindingDB Entry DOI: 10.7270/Q21J99MN
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 1 (Mus musculus)	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Polytechnic Institute and State University Curated by ChEMBL					Assay Description Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human Hela cells				Bioorg Med Chem 17: 2276-81 (2009) Article DOI: 10.1016/j.bmc.2008.10.090 BindingDB Entry DOI: 10.7270/Q21J99MN
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Inhibition of 2,3 dioxygenase				Eur J Med Chem 45: 4004-12 (2010) Article DOI: 10.1016/j.ejmech.2010.05.057 BindingDB Entry DOI: 10.7270/Q2HX1CW5
Gyeongsang National University Curated by ChEMBL					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (Homo sapiens (Human))	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of UCHL1 in human H1299 cells				Nat Chem Biol 3: 697-705 (2007) Article DOI: 10.1038/nchembio.2007.43 BindingDB Entry DOI: 10.7270/Q2KW5G7P
Institute for Biomedical Research Curated by ChEMBL					More data for this Ligand-Target Pair
Ubiquitin C-terminal Hydrolase L3 (UCH-L3) (Homo sapiens (Human))	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of UCHL3 in human H1299 cells				Nat Chem Biol 3: 697-705 (2007) Article DOI: 10.1038/nchembio.2007.43 BindingDB Entry DOI: 10.7270/Q2KW5G7P
Institute for Biomedical Research Curated by ChEMBL					More data for this Ligand-Target Pair
Aldehyde oxidase (Rattus norvegicus)	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of rat aldehyde oxidase				J Med Chem 53: 8441-60 (2010) Article DOI: 10.1021/jm100888d BindingDB Entry DOI: 10.7270/Q2057G6G
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Aldehyde oxidase (Oryctolagus cuniculus)	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of rabbit aldehyde oxidase				J Med Chem 53: 8441-60 (2010) Article DOI: 10.1021/jm100888d BindingDB Entry DOI: 10.7270/Q2057G6G
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Aldehyde oxidase (Macaca fascicularis)	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of monkey aldehyde oxidase				J Med Chem 53: 8441-60 (2010) Article DOI: 10.1021/jm100888d BindingDB Entry DOI: 10.7270/Q2057G6G
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Aldehyde oxidase (Homo sapiens (Human))	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human aldehyde oxidase				J Med Chem 53: 8441-60 (2010) Article DOI: 10.1021/jm100888d BindingDB Entry DOI: 10.7270/Q2057G6G
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Aldehyde oxidase (Mus musculus)	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mouse aldehyde oxidase				J Med Chem 53: 8441-60 (2010) Article DOI: 10.1021/jm100888d BindingDB Entry DOI: 10.7270/Q2057G6G
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cdc25C (Homo sapiens (Human))	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut Henri Beaufour Curated by ChEMBL					Assay Description Inhibitory concentration for human cell division cycle 25 degree C phosphatase				Bioorg Med Chem Lett 14: 5809-12 (2004) Article DOI: 10.1016/j.bmcl.2004.09.041 BindingDB Entry DOI: 10.7270/Q2H41S67
Institut Henri Beaufour Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of MBP-fused recombinant wild type CDC25B3 using fluorescein 3,6 diphosphate as substrate measured for 30 mins in presence of 1 mM dithiot...				Bioorg Med Chem Lett 22: 7345-50 (2012) Article DOI: 10.1016/j.bmcl.2012.10.072 BindingDB Entry DOI: 10.7270/Q2J67J38
Universit£ Paris Descartes Curated by ChEMBL					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of ascorbic acid/methylene blue activated recombinant human IDO expressed in Escherichia coli using L-Tryptophan as substrate after 60 min...				J Nat Prod 80: 1378-1386 (2017) Article DOI: 10.1021/acs.jnatprod.6b01059 BindingDB Entry DOI: 10.7270/Q2902687
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25A (Homo sapiens (Human))	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.90E+3	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
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.90E+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
10 kDa chaperonin (Escherichia coli)	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+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 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
Thiosulfate sulfurtransferase (Homo sapiens)	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+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 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)	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.00E+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
HSP60/HSP10 (Homo sapiens)	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+4	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
DNA gyrase (Mycobacterium tuberculosis)	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
John Innes Centre					Assay Description Mycobacterium tuberculosis gyrase supercoiling, relaxation, and decatenation assays were carried out as described previously.				J Biol Chem 288: 5149-56 (2013) Article DOI: 10.1074/jbc.M112.419069 BindingDB Entry DOI: 10.7270/Q2V69H6R
John Innes Centre					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2) (Homo sapiens (Human))	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	37
Duke University Medical Center					Assay Description In order to eliminated fluorescence interference, chemicals were subjected to a secondary screening using colorimetric BP incorporation assay. TGase...				Chem Biol 15: 969-78 (2008) Article DOI: 10.1016/j.chembiol.2008.07.015 BindingDB Entry DOI: 10.7270/Q2DR2SZR
Duke University Medical Center					More data for this Ligand-Target Pair
perilipin-5 (Homo sapiens (Human))	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	9.47E+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 (2011) BindingDB Entry DOI: 10.7270/Q2D21W3H
					More data for this Ligand-Target Pair
perilipin-1 (Homo sapiens (Human))	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	7.90E+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 (2011) BindingDB Entry DOI: 10.7270/Q2HT2MS2
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L3 (UCH-L3) (Mus musculus (Mouse))	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.10E+4	n/a	n/a	n/a	n/a	7.6	25
Brigham and Women's Hospital					Assay Description Inhibition activity and selectivity for UCH-L1 and UCH-L3.				Chem Biol 10: 837-46 (2003) Article DOI: 10.1016/j.chembiol.2003.08.010 BindingDB Entry DOI: 10.7270/Q20Z71P9
Brigham and Women's Hospital					More data for this Ligand-Target Pair
60 kDa chaperonin (Escherichia coli)	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB 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
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	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
Bryn Mawr College					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (UCH-L1) (Mus musculus (Mouse))	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione \| 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O \|t:1\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+5	n/a	n/a	n/a	n/a	7.6	25
Brigham and Women's Hospital					Assay Description Inhibition activity and selectivity for UCH-L1 and UCH-L3.				Chem Biol 10: 837-46 (2003) Article DOI: 10.1016/j.chembiol.2003.08.010 BindingDB Entry DOI: 10.7270/Q20Z71P9
Brigham and Women's Hospital					More data for this Ligand-Target Pair