BindingDB PrimarySearch

null

SMILES: O=C1C=CC(=O)c2ccccc12

InChI Key: InChIKey=FRASJONUBLZVQX-UHFFFAOYSA-N

PDB links: 32 PDB IDs contain this monomer as substructures. 32 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 24776
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
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24776 (1,4-Naphthoquinone \| 1,4-Naphthoquinone (5a) \| 1,4...) Show SMILES O=C1C=CC(=O)c2ccccc12 \|c:2\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	990	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
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM24776 (1,4-Naphthoquinone \| 1,4-Naphthoquinone (5a) \| 1,4...) Show SMILES O=C1C=CC(=O)c2ccccc12 \|c:2\| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.43E+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
Amine oxidase (Homo sapiens (Human))	BDBM24776 (1,4-Naphthoquinone \| 1,4-Naphthoquinone (5a) \| 1,4...) Show SMILES O=C1C=CC(=O)c2ccccc12 \|c:2\| Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.40E+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
Genome polyprotein (Human rhinovirus B)	BDBM24776 (1,4-Naphthoquinone \| 1,4-Naphthoquinone (5a) \| 1,4...) Show SMILES O=C1C=CC(=O)c2ccccc12 \|c:2\| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.10E+4	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
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM24776 (1,4-Naphthoquinone \| 1,4-Naphthoquinone (5a) \| 1,4...) Show SMILES O=C1C=CC(=O)c2ccccc12 \|c:2\| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.90E+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
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM24776 (1,4-Naphthoquinone \| 1,4-Naphthoquinone (5a) \| 1,4...) Show SMILES O=C1C=CC(=O)c2ccccc12 \|c:2\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.76E+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
Dual specificity protein phosphatase 1 (Mus musculus)	BDBM24776 (1,4-Naphthoquinone \| 1,4-Naphthoquinone (5a) \| 1,4...) Show SMILES O=C1C=CC(=O)c2ccccc12 \|c:2\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.45E+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 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
Dual specificity protein phosphatase 6 (Rattus norvegicus)	BDBM24776 (1,4-Naphthoquinone \| 1,4-Naphthoquinone (5a) \| 1,4...) Show SMILES O=C1C=CC(=O)c2ccccc12 \|c:2\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.98E+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
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24776 (1,4-Naphthoquinone \| 1,4-Naphthoquinone (5a) \| 1,4...) Show SMILES O=C1C=CC(=O)c2ccccc12 \|c:2\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	990	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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM24776 (1,4-Naphthoquinone \| 1,4-Naphthoquinone (5a) \| 1,4...) Show SMILES O=C1C=CC(=O)c2ccccc12 \|c:2\| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.50E+3	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
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM24776 (1,4-Naphthoquinone \| 1,4-Naphthoquinone (5a) \| 1,4...) Show SMILES O=C1C=CC(=O)c2ccccc12 \|c:2\| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	7.70E+3	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 Noncompetitive inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using p-tyramine as substrate by Lineweaver-Burk ...				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
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24776 (1,4-Naphthoquinone \| 1,4-Naphthoquinone (5a) \| 1,4...) Show SMILES O=C1C=CC(=O)c2ccccc12 \|c:2\| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of recombinant AKT1 (unknown origin) using serine/threonine 06 peptide as substrate after 1 hr by FRET based Z'-LYTE assay				Bioorg Med Chem Lett 24: 271-4 (2013) Article DOI: 10.1016/j.bmcl.2013.11.020 BindingDB Entry DOI: 10.7270/Q25T3MZK
Virginia Commonwealth University Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM24776 (1,4-Naphthoquinone \| 1,4-Naphthoquinone (5a) \| 1,4...) Show SMILES O=C1C=CC(=O)c2ccccc12 \|c:2\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of MEK1				Proc Natl Acad Sci USA 104: 20523-8 (2007) Checked by Author Article DOI: 10.1073/pnas.0708800104 BindingDB Entry DOI: 10.7270/Q2DB82RH
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24776 (1,4-Naphthoquinone \| 1,4-Naphthoquinone (5a) \| 1,4...) Show SMILES O=C1C=CC(=O)c2ccccc12 \|c:2\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Compound was tested in a cell-free SLe-polyacrylamide glycoconjugate binding assay (assay B) in Selectin E				Eur J Med Chem 126: 983-996 (2017) Article DOI: 10.1016/j.ejmech.2016.12.029 BindingDB Entry DOI: 10.7270/Q2RX9F9K
University of Auckland Curated by ChEMBL					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM24776 (1,4-Naphthoquinone \| 1,4-Naphthoquinone (5a) \| 1,4...) Show SMILES O=C1C=CC(=O)c2ccccc12 \|c:2\| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...				Bioorg Med Chem Lett 28: 1234-1238 (2018) Article DOI: 10.1016/j.bmcl.2018.02.043 BindingDB Entry DOI: 10.7270/Q24Q7XKJ
Radboud University Curated by ChEMBL					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1 (Homo sapiens (Human))	BDBM24776 (1,4-Naphthoquinone \| 1,4-Naphthoquinone (5a) \| 1,4...) Show SMILES O=C1C=CC(=O)c2ccccc12 \|c:2\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...				Bioorg Med Chem Lett 28: 1234-1238 (2018) Article DOI: 10.1016/j.bmcl.2018.02.043 BindingDB Entry DOI: 10.7270/Q24Q7XKJ
Radboud University Curated by ChEMBL					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24776 (1,4-Naphthoquinone \| 1,4-Naphthoquinone (5a) \| 1,4...) Show SMILES O=C1C=CC(=O)c2ccccc12 \|c:2\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 using L-tryptophan as substrate incubated under dark conditions measured after 60 mins by fluorescence microplat...				J Med Chem 63: 1544-1563 (2020) Article DOI: 10.1021/acs.jmedchem.9b01386 BindingDB Entry DOI: 10.7270/Q2J969RJ
Guangxi Normal University Curated by ChEMBL					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM24776 (1,4-Naphthoquinone \| 1,4-Naphthoquinone (5a) \| 1,4...) Show SMILES O=C1C=CC(=O)c2ccccc12 \|c:2\| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant Pin1 using Suc-AEPF-NH-Np as substrate by alpha-chymotrypsin based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115878 BindingDB Entry DOI: 10.7270/Q21J9FDM
TBA					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM24776 (1,4-Naphthoquinone \| 1,4-Naphthoquinone (5a) \| 1,4...) Show SMILES O=C1C=CC(=O)c2ccccc12 \|c:2\| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type human alpha-synuclein fibrillization expressed in Escherichia coli BL21(DE3)pLysS by thioflavin-T based fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.01.045 BindingDB Entry DOI: 10.7270/Q2H998V9
TBA					More data for this Ligand-Target Pair
Carbon monoxide dehydrogenase small chain (Oligotropha carboxidovorans)	BDBM24776 (1,4-Naphthoquinone \| 1,4-Naphthoquinone (5a) \| 1,4...) Show SMILES O=C1C=CC(=O)c2ccccc12 \|c:2\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a
University of California, Riverside					Assay Description Inhibition of CODH by Diphenyliodomium chloride. Inactivation of the FAD cofactor of CODH was accomplished by covalent modification of the flavin wi...				Biochemistry 50: 1910-6 (2011) Article DOI: 10.1021/bi1017182 BindingDB Entry DOI: 10.7270/Q27M06JN
University of California, Riverside					More data for this Ligand-Target Pair