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
Find this compound or compounds like it in BindingDB:
   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(2-Naphthol | 2-naphthalenol | CHEMBL14126 | Naphth...)
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
TargetCytochrome P450 2A6(Homo sapiens (Human))
University Of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159250(2-Naphthol | 2-naphthalenol | CHEMBL14126 | Naphth...)
Affinity DataIC50:  1.40E+5nMAssay Description:Inhibitory concentration against human cytochrome P450 2A6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A5(Mus musculus)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50159250(2-Naphthol | 2-naphthalenol | CHEMBL14126 | Naphth...)
Affinity DataIC50:  7.80E+4nMAssay Description:Inhibition of mouse CYP2A5More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A5(Mus musculus)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50159250(2-Naphthol | 2-naphthalenol | CHEMBL14126 | Naphth...)
Affinity DataIC50:  7.80E+4nMAssay Description:Inhibitory concentration against mouse cytochrome P450 2A5More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
University Of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159250(2-Naphthol | 2-naphthalenol | CHEMBL14126 | Naphth...)
Affinity DataIC50:  1.70E+4nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
University Of Kuopio

Curated by ChEMBL
LigandPNGBDBM50159250(2-Naphthol | 2-naphthalenol | CHEMBL14126 | Naphth...)
Affinity DataIC50:  1.40E+5nMAssay Description:Inhibition of human CYP2A6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 50159250   

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

GuestPNGBDBM50159250(2-Naphthol | 2-naphthalenol | CHEMBL14126 | Naphth...)
ITC DataΔG°: -6.93kcal/mole −TΔS°: 3.60kcal/mole ΔH°: -10.6kcal/mole logk: 1.40E+5
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(BDBM36303 | BDBM36310 | Methyl Viologen-Cucurbit[8...)
University of Cambridge

GuestPNGBDBM50159250(2-Naphthol | 2-naphthalenol | CHEMBL14126 | Naphth...)
ITC DataΔG°: -7.88kcal/mole logk: 6.10E+5
pH: 7.0 T: 25.00°C