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

SMILES: Oc1cccc2ccccc12

InChI Key: InChIKey=KJCVRFUGPWSIIH-UHFFFAOYSA-N

Data: 10 IC50  1 Kd  2 ITC

PDB links: 2 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 23450   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA repair and recombination protein (RadA)


(Pyrococcus furiosus)
BDBM23450
PNG
(1-Naphthalenol | 1-Naphthol | CHEMBL122617 | Napht...)
Show SMILES Oc1cccc2ccccc12
Show InChI InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
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Article
PubMed
n/an/an/a 4.30E+5n/an/an/an/an/a



University of Cambridge



Assay 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 ...


Chembiochem 14: 332-42 (2013)


Article DOI: 10.1002/cbic.201200521
BindingDB Entry DOI: 10.7270/Q2QF8RHG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Bos taurus)
BDBM23450
PNG
(1-Naphthalenol | 1-Naphthol | CHEMBL122617 | Napht...)
Show SMILES Oc1cccc2ccccc12
Show InChI InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
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n/an/a 2.00E+3n/an/an/an/an/an/a



E. I. du Pont de Nemours and Company, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin G/H synthase in BSV cell line.


J Med Chem 33: 360-70 (1990)


Article DOI: 10.1021/jm00163a058
BindingDB Entry DOI: 10.7270/Q2513ZSJ
More data for this
Ligand-Target Pair
Cytochrome P450 2A6


(Homo sapiens (Human))
BDBM23450
PNG
(1-Naphthalenol | 1-Naphthol | CHEMBL122617 | Napht...)
Show SMILES Oc1cccc2ccccc12
Show InChI InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
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n/an/a 1.30E+5n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cytochrome P450 2A6


J Med Chem 48: 440-9 (2005)


Article DOI: 10.1021/jm049536b
BindingDB Entry DOI: 10.7270/Q20C4WJV
More data for this
Ligand-Target Pair
Cytochrome P450 2A6


(Homo sapiens (Human))
BDBM23450
PNG
(1-Naphthalenol | 1-Naphthol | CHEMBL122617 | Napht...)
Show SMILES Oc1cccc2ccccc12
Show InChI InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
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n/an/a 1.30E+5n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2A6


Eur J Med Chem 44: 1941-51 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.010
BindingDB Entry DOI: 10.7270/Q2PZ5B1Z
More data for this
Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A1


(Homo sapiens (Human))
BDBM23450
PNG
(1-Naphthalenol | 1-Naphthol | CHEMBL122617 | Napht...)
Show SMILES Oc1cccc2ccccc12
Show InChI InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
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n/an/a 2.80E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in estradiol 3-glucuronidation by LC-MS/MS method


Drug Metab Dispos 39: 322-9 (2011)


Article DOI: 10.1124/dmd.110.035030
BindingDB Entry DOI: 10.7270/Q2PC343R
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM23450
PNG
(1-Naphthalenol | 1-Naphthol | CHEMBL122617 | Napht...)
Show SMILES Oc1cccc2ccccc12
Show InChI InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
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n/an/a 1.40E+5n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP2A5


Eur J Med Chem 44: 1941-51 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.010
BindingDB Entry DOI: 10.7270/Q2PZ5B1Z
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM23450
PNG
(1-Naphthalenol | 1-Naphthol | CHEMBL122617 | Napht...)
Show SMILES Oc1cccc2ccccc12
Show InChI InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2 expressed in Escherichia coli BL21(DE3) after 60 mins


J Med Chem 51: 6225-9 (2008)


Article DOI: 10.1021/jm800747w
BindingDB Entry DOI: 10.7270/Q2JM29GJ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM23450
PNG
(1-Naphthalenol | 1-Naphthol | CHEMBL122617 | Napht...)
Show SMILES Oc1cccc2ccccc12
Show InChI InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
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n/an/a 3.60E+3n/an/an/an/an/an/a



E. I. du Pont de Nemours and Company, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit 5-lipoxygenase by using a crude preparation of the cytosolic enzyme from the rat basophilic leukemia (RBL-1) cell line


J Med Chem 33: 360-70 (1990)


Article DOI: 10.1021/jm00163a058
BindingDB Entry DOI: 10.7270/Q2513ZSJ
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM23450
PNG
(1-Naphthalenol | 1-Naphthol | CHEMBL122617 | Napht...)
Show SMILES Oc1cccc2ccccc12
Show InChI InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
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n/an/a 1.40E+5n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


J Med Chem 48: 440-9 (2005)


Article DOI: 10.1021/jm049536b
BindingDB Entry DOI: 10.7270/Q20C4WJV
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM23450
PNG
(1-Naphthalenol | 1-Naphthol | CHEMBL122617 | Napht...)
Show SMILES Oc1cccc2ccccc12
Show InChI InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cytochrome P450 1A2


J Med Chem 48: 3808-15 (2005)


Article DOI: 10.1021/jm0489713
BindingDB Entry DOI: 10.7270/Q2R2125K
More data for this
Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A1


(Homo sapiens (Human))
BDBM23450
PNG
(1-Naphthalenol | 1-Naphthol | CHEMBL122617 | Napht...)
Show SMILES Oc1cccc2ccccc12
Show InChI InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
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n/an/a 2.40E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in bilirubin glucuronidation by LC-MS/MS method


Drug Metab Dispos 39: 322-9 (2011)


Article DOI: 10.1124/dmd.110.035030
BindingDB Entry DOI: 10.7270/Q2PC343R
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 23450
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Transcriptional Regulator TtgR

(Pseudomonas putida)
BDBM23450
JPEG
(1-Naphthalenol | 1-Naphthol | CHEMBL122617 | Napht...)
GoogleScholar
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CHEBI
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PC sid
PDB
-5.305.59-10.93.83730



Estacion Experimental del Zaidin





J Biol Chem 281: 7102-9 (2006)

BDBM36284
JPEG
BDBM23450
JPEG
PC cid
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KEGG
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PC sid
PDB
-7.63n/an/a5.60725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)