BDBM50159250 2-Naphthol::2-naphthalenol::CHEMBL14126::Naphth-2-ol, 10::beta-hydroxynaphthalene::naphthalen-2-ol

SMILES Oc1ccc2ccccc2c1

InChI Key InChIKey=JWAZRIHNYRIHIV-UHFFFAOYSA-N

Data  5 IC50  1 Kd  2 ITC

PDB links: 2 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 6 hits for monomerid = 50159250   

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

LigandPNGBDBM50159250(Naphth-2-ol, 10 | naphthalen-2-ol | beta-hydroxyna...)
Affinity DataKd:  4.60E+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)
TargetCytochrome P450 2A6(Human)
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159250(Naphth-2-ol, 10 | naphthalen-2-ol | beta-hydroxyna...)
Affinity DataIC50: 1.40E+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
LigandPNGBDBM50159250(Naphth-2-ol, 10 | naphthalen-2-ol | beta-hydroxyna...)
Affinity DataIC50: 1.40E+5nMAssay Description:Inhibition of human CYP2A6More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2A5(Mouse)
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159250(Naphth-2-ol, 10 | naphthalen-2-ol | beta-hydroxyna...)
Affinity DataIC50: 7.80E+4nMAssay 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
LigandPNGBDBM50159250(Naphth-2-ol, 10 | naphthalen-2-ol | beta-hydroxyna...)
Affinity DataIC50: 1.70E+4nMAssay 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
LigandPNGBDBM50159250(Naphth-2-ol, 10 | naphthalen-2-ol | beta-hydroxyna...)
Affinity DataIC50: 7.80E+4nMAssay Description:Inhibition of mouse CYP2A5More data for this Ligand-Target Pair
In DepthDetails Article
PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 50159250   

HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM50159250(Naphth-2-ol, 10 | naphthalen-2-ol | beta-hydroxyna...)
ITC DataΔG°: -7.88kcal/mole logk: 6.10E+5
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM50159250(Naphth-2-ol, 10 | naphthalen-2-ol | beta-hydroxyna...)
ITC DataΔG°: -6.93kcal/mole −TΔS°: 3.60kcal/mole ΔH°: -10.6kcal/mole logk: 1.40E+5
pH: 7.0 T: 25.00°C