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SMILES Oc1cccc2ccccc12

InChI Key InChIKey=KJCVRFUGPWSIIH-UHFFFAOYSA-N

PDB links: 7 PDB IDs match this monomer. 34 PDB IDs contain this monomer as substructures. 34 PDB IDs contain inhibitors having a similarity of 90% to 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 12 hits for monomerid = 23450   

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

LigandPNGBDBM23450(1-Naphthalenol | 1-Naphthol | CHEMBL122617 | Napht...)copy SMILEScopy InChI
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
TargetProstaglandin G/H synthase 1/2(Bos taurus)
E. I. du Pont de Nemours and Company, Inc.

Curated by ChEMBL
LigandPNGBDBM23450(1-Naphthalenol | 1-Naphthol | CHEMBL122617 | Napht...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2513ZSJPubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM23450(1-Naphthalenol | 1-Naphthol | CHEMBL122617 | Napht...)copy SMILEScopy InChI
Affinity DataIC50: 1.30E+5nMAssay Description:Inhibitory concentration against human cytochrome P450 2A6More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20C4WJVPubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM23450(1-Naphthalenol | 1-Naphthol | CHEMBL122617 | Napht...)copy SMILEScopy InChI
Affinity DataIC50: 1.30E+5nMAssay Description:Inhibition of human CYP2A6More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PZ5B1ZPubMed
TargetUDP-glucuronosyltransferase 1A1(Homo sapiens (Human))
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM23450(1-Naphthalenol | 1-Naphthol | CHEMBL122617 | Napht...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2PC343RPubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)TBA
LigandPNGBDBM23450(1-Naphthalenol | 1-Naphthol | CHEMBL122617 | Napht...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2R21496
TargetMAP kinase-activated protein kinase 2(Homo sapiens (Human))
Princ

Curated by ChEMBL
LigandPNGBDBM23450(1-Naphthalenol | 1-Naphthol | CHEMBL122617 | Napht...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2JM29GJPubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)TBA
LigandPNGBDBM23450(1-Naphthalenol | 1-Naphthol | CHEMBL122617 | Napht...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2513ZSJPubMed
TargetCytochrome P450 2A5(Mus musculus)
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM23450(1-Naphthalenol | 1-Naphthol | CHEMBL122617 | Napht...)copy SMILEScopy InChI
Affinity DataIC50: 1.40E+5nMAssay Description:Inhibitory concentration against mouse cytochrome P450 2A5More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20C4WJVPubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM23450(1-Naphthalenol | 1-Naphthol | CHEMBL122617 | Napht...)copy SMILEScopy InChI
Affinity DataIC50: 3.20E+3nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2R2125KPubMed
TargetCytochrome P450 2A5(Mus musculus)
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM23450(1-Naphthalenol | 1-Naphthol | CHEMBL122617 | Napht...)copy SMILEScopy InChI
Affinity DataIC50: 1.40E+5nMAssay Description:Inhibition of mouse CYP2A5More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PZ5B1ZPubMed
TargetUDP-glucuronosyltransferase 1A1(Homo sapiens (Human))
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM23450(1-Naphthalenol | 1-Naphthol | CHEMBL122617 | Napht...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2PC343RPubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 23450   

CellTranscriptional Regulator TtgR(Pseudomonas putida)
Estacion Experimental del Zaidin

SyringePNGBDBM23450(1-Naphthalenol | 1-Naphthol | CHEMBL122617 | Napht...)
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(BDBM36303 | BDBM36310 | Methyl Viologen-Cucurbit[8...)
University of Cambridge

SyringePNGBDBM23450(1-Naphthalenol | 1-Naphthol | CHEMBL122617 | Napht...)
ITC DataΔG°: -7.63kcal/mole logk: 4.00E+5
pH: 7.0 T: 25.00°C