BDBM50240369 1-Hydroxy-2-methoxybenzene::2-Hydroxyanisole::2-methoxyphenol::CHEMBL13766::Guaiacol (16)::guaiacol

SMILES COc1ccccc1O

InChI Key InChIKey=LHGVFZTZFXWLCP-UHFFFAOYSA-N

Data  6 KI  1 IC50  1 ITC

PDB links: 15 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50240369   

TargetCarbonic anhydrase 2(Human)
Ataturk University

Curated by ChEMBL
LigandPNGBDBM50240369(1-Hydroxy-2-methoxybenzene | 2-Hydroxyanisole | 2-...)
Affinity DataKi:  2.94E+3nMAssay Description:Inhibition of human erythrocyte CA2 esterase activity using 4-nitrophenyl acetate substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Human)
Ataturk University

Curated by ChEMBL
LigandPNGBDBM50240369(1-Hydroxy-2-methoxybenzene | 2-Hydroxyanisole | 2-...)
Affinity DataKi:  2.98E+3nMAssay Description:Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 4(Human)
Agri Ibrahim Cecen University

LigandPNGBDBM50240369(1-Hydroxy-2-methoxybenzene | 2-Hydroxyanisole | 2-...)
Affinity DataKi:  3.56E+3nMAssay Description:Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Human)
Ataturk University

Curated by ChEMBL
LigandPNGBDBM50240369(1-Hydroxy-2-methoxybenzene | 2-Hydroxyanisole | 2-...)
Affinity DataKi:  6.02E+4nMAssay Description:Inhibition of human erythrocyte CA1 esterase activity using 4-nitrophenyl acetate substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Human)
Ataturk University

Curated by ChEMBL
LigandPNGBDBM50240369(1-Hydroxy-2-methoxybenzene | 2-Hydroxyanisole | 2-...)
Affinity DataKi:  6.02E+4nMAssay Description:Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 6(Human)
Agri Ibrahim Cecen University

LigandPNGBDBM50240369(1-Hydroxy-2-methoxybenzene | 2-Hydroxyanisole | 2-...)
Affinity DataKi:  2.17E+5nMAssay Description:Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50240369(1-Hydroxy-2-methoxybenzene | 2-Hydroxyanisole | 2-...)
Affinity DataIC50: >1.00E+6nMAssay Description:Ability to inhibit HMG-CoA reductase (HMGR) by CoA reductase inhibition screen (COR) in ratsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50240369   

HostPNGBDBM36284(BDBM36303 | BDBM36310 | Methyl Viologen-Cucurbit[8...)
University of Cambridge

GuestPNGBDBM50240369(1-Hydroxy-2-methoxybenzene | 2-Hydroxyanisole | 2-...)
ITC DataΔG°: -5.53kcal/mole logk: 1.10E+4
pH: 7.0 T: 25.00°C