BDBM23450 1-Naphthalenol::1-Naphthol::CHEMBL122617::Naphth-1-ol, 9::alpha-naphthol::naphthalen-1-ol

SMILES Oc1cccc2ccccc12

InChI Key InChIKey=KJCVRFUGPWSIIH-UHFFFAOYSA-N

Data  11 IC50  1 Kd  2 ITC

PDB links: 7 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 23450   

TargetDNA repair and recombination protein RadA(Pyrococcus furiosus)
University of Cambridge

LigandPNGBDBM23450(CHEMBL122617 | Naphth-1-ol, 9 | alpha-naphthol | 1...)
Affinity DataKd:  4.30E+5nMAssay Description:The thermal-shift denaturation assay was performed on an iCycler iQ Real Time Detection System (BioRad) in 96-well iCycler iQ PCR plates sealed with ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 1/2(Bovine)
E.I. Du Pont De Nemours

Curated by ChEMBL
LigandPNGBDBM23450(CHEMBL122617 | Naphth-1-ol, 9 | alpha-naphthol | 1...)
Affinity DataIC50: 2.00E+3nMAssay Description:In vitro inhibition of Prostaglandin G/H synthase in BSV cell line.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM23450(CHEMBL122617 | Naphth-1-ol, 9 | alpha-naphthol | 1...)
Affinity DataIC50: 1.30E+5nMAssay Description:Inhibitory concentration against human cytochrome P450 2A6More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM23450(CHEMBL122617 | Naphth-1-ol, 9 | alpha-naphthol | 1...)
Affinity DataIC50: 1.30E+5nMAssay Description:Inhibition of human CYP2A6More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetUDP-glucuronosyltransferase 1A1(Human)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM23450(CHEMBL122617 | Naphth-1-ol, 9 | alpha-naphthol | 1...)
Affinity DataIC50: 2.80E+5nMAssay Description:Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in estradiol 3-glucuronidation by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetUDP-glucuronosyltransferase 1A1(Human)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM23450(CHEMBL122617 | Naphth-1-ol, 9 | alpha-naphthol | 1...)
Affinity DataIC50: 2.40E+5nMAssay Description:Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in bilirubin glucuronidation by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMAP kinase-activated protein kinase 2(Human)
Bristol Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM23450(CHEMBL122617 | Naphth-1-ol, 9 | alpha-naphthol | 1...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human recombinant MK2 expressed in Escherichia coli BL21(DE3) after 60 minsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rat)
E.I. Du Pont De Nemours

Curated by ChEMBL
LigandPNGBDBM23450(CHEMBL122617 | Naphth-1-ol, 9 | alpha-naphthol | 1...)
Affinity DataIC50: 3.60E+3nMAssay Description:Ability to inhibit 5-lipoxygenase by using a crude preparation of the cytosolic enzyme from the rat basophilic leukemia (RBL-1) cell lineMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2A5(Mouse)
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM23450(CHEMBL122617 | Naphth-1-ol, 9 | alpha-naphthol | 1...)
Affinity DataIC50: 1.40E+5nMAssay Description:Inhibitory concentration against mouse cytochrome P450 2A5More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 1A2(Human)
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM23450(CHEMBL122617 | Naphth-1-ol, 9 | alpha-naphthol | 1...)
Affinity DataIC50: 3.20E+3nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2A5(Mouse)
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM23450(CHEMBL122617 | Naphth-1-ol, 9 | alpha-naphthol | 1...)
Affinity DataIC50: 1.40E+5nMAssay Description:Inhibition of mouse CYP2A5More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rat)
E.I. Du Pont De Nemours

Curated by ChEMBL
LigandPNGBDBM23450(CHEMBL122617 | Naphth-1-ol, 9 | alpha-naphthol | 1...)
Affinity DataIC50: 3.60E+3nMAssay Description:Inhibition of 5-lipoxygenase in Rattus norvegicus Rat basophil leukemia cells (RBL) cellsMore data for this Ligand-Target Pair
In DepthDetails Article

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 23450   

CellTranscriptional Regulator TtgR(Pseudomonas putida)
Estacion Experimental Del Zaidin

SyringePNGBDBM23450(CHEMBL122617 | Naphth-1-ol, 9 | alpha-naphthol | 1...)
ITC DataΔG°: -5.30kcal/mole −TΔS°: 5.59kcal/mole ΔH°: -10.9kcal/mole logk: 6.73E+3
pH: 7.0 T: 30.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

SyringePNGBDBM23450(CHEMBL122617 | Naphth-1-ol, 9 | alpha-naphthol | 1...)
ITC DataΔG°: -7.63kcal/mole logk: 4.00E+5
pH: 7.0 T: 25.00°C