BDBM50240436 2-Hydroxy-6-pentadecyl-benzoic acid::2-hydroxy-6-pentadecylbenzoic acid::6-(pentadecenyl)salicylic acid::anacardic acid
SMILES: CCCCCCCCCCCCCCCc1cccc(O)c1C(O)=O
InChI Key: InChIKey=ADFWQBGTDJIESE-UHFFFAOYSA-N
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 |
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Histone acetyltransferase KAT8 (Homo sapiens (Human)) | BDBM50240436![]() (2-Hydroxy-6-pentadecyl-benzoic acid | 2-hydroxy-6-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 6.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen Curated by ChEMBL | Assay Description Inhibition of recombinant N-terminal His6-tagged KAT8 (unknown origin) expressed in Escherichia Coli BL21 DE3 cells assessed as reduction of Co A lev... | Eur J Med Chem 105: 289-96 (2015) Article DOI: 10.1016/j.ejmech.2015.10.016 BindingDB Entry DOI: 10.7270/Q2TT4TXW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone acetyltransferase p300 (Homo sapiens (Human)) | BDBM50240436![]() (2-Hydroxy-6-pentadecyl-benzoic acid | 2-hydroxy-6-...) | PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of recombinant human full-length His6-tagged p300 expressed in baculovirus infected Sf21 insect cells using [3H]acetylCoA as substrate pre... | J Med Chem 63: 1337-1360 (2020) Article DOI: 10.1021/acs.jmedchem.9b01721 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone acetyltransferase KAT2B (Homo sapiens (Human)) | BDBM50240436![]() (2-Hydroxy-6-pentadecyl-benzoic acid | 2-hydroxy-6-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | Purchase MCE KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 3.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg Curated by ChEMBL | Assay Description Inhibition of recombinant human PCAF catalytic domain (492 to 658 residues) using histone H3 peptide substrate after 1 hr by liquid scintillation cou... | J Med Chem 59: 1249-70 (2016) BindingDB Entry DOI: 10.7270/Q2DV1MRN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone acetyltransferase p300 (Homo sapiens (Human)) | BDBM50240436![]() (2-Hydroxy-6-pentadecyl-benzoic acid | 2-hydroxy-6-...) | PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 4.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg Curated by ChEMBL | Assay Description Inhibition of recombinant p300 catalytic domain (unknown origin) using N-terminal histone H3 substrate by radiometric filter binding assay in presenc... | J Med Chem 59: 1249-70 (2016) BindingDB Entry DOI: 10.7270/Q2DV1MRN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean)) | BDBM50240436![]() (2-Hydroxy-6-pentadecyl-benzoic acid | 2-hydroxy-6-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase MCE KEGG PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 8.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of soybean lipoxygenase-1 | J Nat Prod 57: 1755-1757 (1994) Article DOI: 10.1021/np50114a025 BindingDB Entry DOI: 10.7270/Q23B6042 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
SUMO-activating enzyme subunit 1 (Homo sapiens (Human)) | BDBM50240436![]() (2-Hydroxy-6-pentadecyl-benzoic acid | 2-hydroxy-6-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga Curated by ChEMBL | Assay Description Inhibition of recombinant SAE1(unknown origin)-mediated SUMOylation of RanGAP1-C2 | J Med Chem 56: 2165-77 (2013) Article DOI: 10.1021/jm301420b BindingDB Entry DOI: 10.7270/Q29P32ZT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean)) | BDBM50240436![]() (2-Hydroxy-6-pentadecyl-benzoic acid | 2-hydroxy-6-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Groningen Research Institute of Pharmacy Curated by ChEMBL | Assay Description Inhibition of soyabean lipoxygenase-1 assessed as formation of 13-HPOD from linolenic acid preincubated for 10 mins measured by real-time spectrophot... | Bioorg Med Chem 20: 5027-32 (2012) Article DOI: 10.1016/j.bmc.2012.06.019 BindingDB Entry DOI: 10.7270/Q20R9QJG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Probable linoleate 9S-lipoxygenase 5 (Solanum tuberosum) | BDBM50240436![]() (2-Hydroxy-6-pentadecyl-benzoic acid | 2-hydroxy-6-...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Groningen Research Institute of Pharmacy Curated by ChEMBL | Assay Description Inhibition of potato 5-lipoxygenase assessed as residual activity preincubated for 10 mins measured by real-time spectrophotometric analysis | Bioorg Med Chem 20: 5027-32 (2012) Article DOI: 10.1016/j.bmc.2012.06.019 BindingDB Entry DOI: 10.7270/Q20R9QJG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone acetyltransferase p300 (Homo sapiens (Human)) | BDBM50240436![]() (2-Hydroxy-6-pentadecyl-benzoic acid | 2-hydroxy-6-...) | PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of recombinant His6-tagged human P300 expressed in Baculovirus-infected Sf21 cells using histone peptide as substrate after 10 mins in pre... | Bioorg Med Chem 26: 5397-5407 (2018) Article DOI: 10.1016/j.bmc.2018.07.048 BindingDB Entry DOI: 10.7270/Q2ZW1PM0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone acetyltransferase KAT2B (Homo sapiens (Human)) | BDBM50240436![]() (2-Hydroxy-6-pentadecyl-benzoic acid | 2-hydroxy-6-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | Purchase 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 |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of recombinant FLAG epitope-tagged human PCAF expressed in Baculovirus-infected Sf21 cells using histone peptide as substrate after 10 min... | Bioorg Med Chem 26: 5397-5407 (2018) Article DOI: 10.1016/j.bmc.2018.07.048 BindingDB Entry DOI: 10.7270/Q2ZW1PM0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone acetyltransferase KAT5 (Homo sapiens (Human)) | BDBM50240436![]() (2-Hydroxy-6-pentadecyl-benzoic acid | 2-hydroxy-6-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of Tip60 (unknown origin) | Bioorg Med Chem 26: 5397-5407 (2018) Article DOI: 10.1016/j.bmc.2018.07.048 BindingDB Entry DOI: 10.7270/Q2ZW1PM0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone acetyltransferase KAT8 (Homo sapiens (Human)) | BDBM50240436![]() (2-Hydroxy-6-pentadecyl-benzoic acid | 2-hydroxy-6-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of MOF (unknown origin) | Bioorg Med Chem 26: 5397-5407 (2018) Article DOI: 10.1016/j.bmc.2018.07.048 BindingDB Entry DOI: 10.7270/Q2ZW1PM0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone acetyltransferase KAT8 (Homo sapiens (Human)) | BDBM50240436![]() (2-Hydroxy-6-pentadecyl-benzoic acid | 2-hydroxy-6-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.14E+11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen Curated by ChEMBL | Assay Description Inhibition of recombinant N-terminal His6-tagged KAT8 (unknown origin) expressed in Escherichia Coli BL21 DE3 cells assessed as reduction of Co A lev... | Eur J Med Chem 105: 289-96 (2015) Article DOI: 10.1016/j.ejmech.2015.10.016 BindingDB Entry DOI: 10.7270/Q2TT4TXW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM50240436![]() (2-Hydroxy-6-pentadecyl-benzoic acid | 2-hydroxy-6-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet ![]() | Purchase 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 |
National Institutes of Health | Assay Description The 3CLpro enzyme assay was developed in 384-well black, medium binding microplates (Greiner Bio-One, Monroe, NC, USA) with a total volume of 20 _... | bioRxiv (2020) Article DOI: 10.1101/2020.07.17.207019 BindingDB Entry DOI: 10.7270/Q20G3NJM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM50240436![]() (2-Hydroxy-6-pentadecyl-benzoic acid | 2-hydroxy-6-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet ![]() | Purchase MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a |
National Institutes of Health | Assay Description SARS-CoV-2 CPE assay was conducted at Southern Research Institute (Birmingham, AL) as described in previous reports30, 31. In brief, high ACE2 expres... | bioRxiv (2020) Article DOI: 10.1101/2020.07.17.207019 BindingDB Entry DOI: 10.7270/Q20G3NJM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone acetyltransferase p300 (Homo sapiens (Human)) | BDBM50240436![]() (2-Hydroxy-6-pentadecyl-benzoic acid | 2-hydroxy-6-...) | PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 8.50E+3 | 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 human His6-tagged p300 expressed in baculovirus infected Sf21 cells using N-terminal H3 peptide substrate after... | J Med Chem 59: 1249-70 (2016) BindingDB Entry DOI: 10.7270/Q2DV1MRN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone acetyltransferase KAT2B (Homo sapiens (Human)) | BDBM50240436![]() (2-Hydroxy-6-pentadecyl-benzoic acid | 2-hydroxy-6-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | Purchase MCE KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 5.00E+3 | 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 human FLAG-tagged PCAF expressed in baculovirus infected Sf21 cells using N-terminal H3 peptide substrate after... | J Med Chem 59: 1249-70 (2016) BindingDB Entry DOI: 10.7270/Q2DV1MRN | |||||||||||
More data for this Ligand-Target Pair |