BDBM50292429 2-Hydroxy-6-pentadecyl-benzoic acid::2-Pentadecyl-6-hydroxybenzoic acid::2-hydroxy-6-((8Z,11Z)-pentadeca-8,11,14-trienyl)benzoic acid::2-hydroxy-6-pentadecylbenzoic acid::6-[8(Z),11(Z),14-pentadecatrienyl]salicylic acid::6-pentadecatrienylsalicylic acid::6-pentadecylsalicylic acid::6-{8(Z),11(Z),14-pentadecatrienyl}salicylic acid::6[8'(Z ),11'(Z ),14'-pentadecatrienyl]salicylicacid::BPH-953::CHEMBL455368::anacardic acid
SMILES: OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C
InChI Key: InChIKey=QUVGEKPNSCFQIR-UTOQUPLUSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi) | BDBM50292429 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de S£o Carlos Curated by ChEMBL | Assay Description Non-competitive inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli assessed as dissociation constant for bina... | Bioorg Med Chem 16: 8889-95 (2008) Article DOI: 10.1016/j.bmc.2008.08.057 BindingDB Entry DOI: 10.7270/Q2474B6M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi) | BDBM50292429 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de S£o Carlos Curated by ChEMBL | Assay Description Non-competitive inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli assessed as dissociation constant for bina... | Bioorg Med Chem 16: 8889-95 (2008) Article DOI: 10.1016/j.bmc.2008.08.057 BindingDB Entry DOI: 10.7270/Q2474B6M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi) | BDBM50292429 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de S£o Carlos Curated by ChEMBL | Assay Description Non-competitive inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli assessed as dissociation constant for tern... | Bioorg Med Chem 16: 8889-95 (2008) Article DOI: 10.1016/j.bmc.2008.08.057 BindingDB Entry DOI: 10.7270/Q2474B6M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi) | BDBM50292429 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de S£o Carlos Curated by ChEMBL | Assay Description Non-competitive inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli assessed as dissociation constant for tern... | Bioorg Med Chem 16: 8889-95 (2008) Article DOI: 10.1016/j.bmc.2008.08.057 BindingDB Entry DOI: 10.7270/Q2474B6M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi) | BDBM50292429 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de S£o Carlos Curated by ChEMBL | Assay Description Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli using GAPDH and D-glyceraldehyde-3-phosphate | Bioorg Med Chem 16: 8889-95 (2008) Article DOI: 10.1016/j.bmc.2008.08.057 BindingDB Entry DOI: 10.7270/Q2474B6M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone acetyltransferase KAT5 (Homo sapiens (Human)) | BDBM50292429 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen Curated by ChEMBL | Assay Description Inhibition of human recombinant His-tagged Tip60 expressed in Escherichia coli BL21(DE3) cells using [14C]Ac-AoA and histone H4 as substrate after 5 ... | Eur J Med Chem 47: 337-44 (2012) Article DOI: 10.1016/j.ejmech.2011.11.001 BindingDB Entry DOI: 10.7270/Q2XD123P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone acetyltransferase PCAF (Homo sapiens (Human)) | BDBM50292429 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen Curated by ChEMBL | Assay Description Inhibition of human recombinant His-tagged PCAF HAT domain expressed in Escherichia coli BL21(DE3) cells using [14C]Ac-AoA and histone H4 as substrat... | Eur J Med Chem 47: 337-44 (2012) Article DOI: 10.1016/j.ejmech.2011.11.001 BindingDB Entry DOI: 10.7270/Q2XD123P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone acetyltransferase p300 (Homo sapiens (Human)) | BDBM50292429 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...) | PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen Curated by ChEMBL | Assay Description Inhibition of human recombinant His-tagged p300 HAT domain expressed in Escherichia coli BL21(DE3) cells using [14C]Ac-AoA and histone H4 as substrat... | Eur J Med Chem 47: 337-44 (2012) Article DOI: 10.1016/j.ejmech.2011.11.001 BindingDB Entry DOI: 10.7270/Q2XD123P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone acetyltransferase KAT8 (Homo sapiens (Human)) | BDBM50292429 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen Curated by ChEMBL | Assay Description Inhibition of human MOF expressed in Escherichia coli BL21(DE3) cells using [14C]AC-CoA and histone H4 as substrate after 5 mins by scintillation cou... | Eur J Med Chem 47: 337-44 (2012) Article DOI: 10.1016/j.ejmech.2011.11.001 BindingDB Entry DOI: 10.7270/Q2XD123P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone acetyltransferase p300 (Homo sapiens (Human)) | BDBM50292429 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...) | PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of recombinant His-tagged HAT p300 expressed in Sf21-Baculovirus system | Bioorg Med Chem 17: 467-74 (2009) Article DOI: 10.1016/j.bmc.2008.11.079 BindingDB Entry DOI: 10.7270/Q2H70GRB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone acetyltransferase KAT5 (Homo sapiens (Human)) | BDBM50292429 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University Curated by ChEMBL | Assay Description Inhibition of TIP60 in human HeLa cell extracts by ELISA | Bioorg Med Chem 17: 1381-6 (2009) Article DOI: 10.1016/j.bmc.2008.12.014 BindingDB Entry DOI: 10.7270/Q2K35VKS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone acetyltransferase KAT5 (Homo sapiens (Human)) | BDBM50292429 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.75E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University Curated by ChEMBL | Assay Description Inhibition of recombinant Tip60 (1-513) expressed in Escherichia coli BL21 (DE3) by liquid scintillation | Bioorg Med Chem 17: 1381-6 (2009) Article DOI: 10.1016/j.bmc.2008.12.014 BindingDB Entry DOI: 10.7270/Q2K35VKS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone acetyltransferase p300 (Homo sapiens (Human)) | BDBM50292429 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...) | PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University Curated by ChEMBL | Assay Description Inhibition of recombinant p300 | Bioorg Med Chem 17: 1381-6 (2009) Article DOI: 10.1016/j.bmc.2008.12.014 BindingDB Entry DOI: 10.7270/Q2K35VKS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone acetyltransferase PCAF (Homo sapiens (Human)) | BDBM50292429 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.67E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University Curated by ChEMBL | Assay Description Inhibition of PCAF HAT domain (493-658) expressed in Escherichia coli BL21 (DE3) | Bioorg Med Chem 17: 1381-6 (2009) Article DOI: 10.1016/j.bmc.2008.12.014 BindingDB Entry DOI: 10.7270/Q2K35VKS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase (Pseudomonas aeruginosa (PAO1)) | BDBM50292429 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Concentration required for its inhibitory activity against Pseudomonas aeruginosa class C beta-lactamase | Citation and Details Article DOI: 10.1016/S0960-894X(01)80506-0 BindingDB Entry DOI: 10.7270/Q21V5HPM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bacterial beta-lactamase TEM (Escherichia coli) | BDBM50292429 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Concentration required for its inhibitory activity against Escherichia coli JT4(TEM1) class A beta-lactamase | Citation and Details Article DOI: 10.1016/S0960-894X(01)80506-0 BindingDB Entry DOI: 10.7270/Q21V5HPM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase (Enterobacter cloacae) | BDBM50292429 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Concentration required for its inhibitory activity against Enterobacter cloacae P99 class C beta-lactamase | Citation and Details Article DOI: 10.1016/S0960-894X(01)80506-0 BindingDB Entry DOI: 10.7270/Q21V5HPM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase (Proteus mirabilis) | BDBM50292429 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Concentration required for its inhibitory activity against Proteus mirabilis C889 class A beta-lactamase | Citation and Details Article DOI: 10.1016/S0960-894X(01)80506-0 BindingDB Entry DOI: 10.7270/Q21V5HPM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase OXA-1 (Escherichia coli (Enterobacteria)) | BDBM50292429 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Concentration required for its inhibitory activity against Escherichia coli K12(OXA1) class D beta-lactamase | Citation and Details Article DOI: 10.1016/S0960-894X(01)80506-0 BindingDB Entry DOI: 10.7270/Q21V5HPM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone acetyltransferase PCAF (Homo sapiens (Human)) | BDBM50292429 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Groningen Research Institute of Pharmacy Curated by ChEMBL | Assay Description Inhibition of human recombinant histone deacetylase PCAF by ELISA | Bioorg Med Chem 18: 5826-34 (2010) Article DOI: 10.1016/j.bmc.2010.06.089 BindingDB Entry DOI: 10.7270/Q2BZ666T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lipoxygenase-1 (Glycine max (soybean)) | BDBM50292429 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | >2.50E+5 | 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 | |||||||||||||
Beta-lactamase pse-1 (Escherichia coli) | BDBM50292429 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Concentration required for its inhibitory activity against Escherichia coli K12(PSE4) class A beta-lactamase | Citation and Details Article DOI: 10.1016/S0960-894X(01)80506-0 BindingDB Entry DOI: 10.7270/Q21V5HPM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
cis-Decaprenyl diphosphate synthase (cis-DPPS) (Mycobacterium tuberculosis H37Rv) | BDBM50292429 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.80E+5 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of California San Diego | Assay Description We screened an in-house library of 53 compounds using trans-FPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by ... | Chem Biol Drug Des 85: 756-69 (2015) Article DOI: 10.1111/cbdd.12463 BindingDB Entry DOI: 10.7270/Q2ZG6QZN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone acetyltransferase PCAF (Homo sapiens (Human)) | BDBM50292429 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Salerno Curated by ChEMBL | Assay Description Inhibition of PCAF (unknown origin) using histone H3/[acetyl-3H]-acetyl coenzyme A as substrate | J Med Chem 58: 2779-98 (2015) Article DOI: 10.1021/jm5019687 BindingDB Entry DOI: 10.7270/Q2736SMP | |||||||||||
More data for this Ligand-Target Pair |