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9 similar compounds to monomer 23450

Compile data set for download or QSAR
Wt: 160.1
BDBM23449
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Wt: 160.1
BDBM36285
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Wt: 160.1
BDBM36286
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Wt: 160.1
BDBM36287
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Wt: 160.1
BDBM36288
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Wt: 160.1
BDBM36289
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Wt: 160.1
BDBM36290
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Wt: 144.1
BDBM50159250
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Wt: 160.1
BDBM50303901
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 23449,36285,36286,36287,36288,36289,36290,50159250,50303901   
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)
BDBM50159250
PNG
(2-Naphthol | 2-naphthalenol | CHEMBL14126 | Naphth...)
Show SMILES Oc1ccc2ccccc2c1
Show InChI InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
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Article
PubMed
n/an/an/a 4.60E+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)
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM23449
PNG
(1,3-Dihydroxynaphthalene | Naphthalene-1,3-diol | ...)
Show SMILES Oc1cc(O)c2ccccc2c1
Show InChI InChI=1S/C10H8O2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6,11-12H
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PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2


Bioorg Med Chem Lett 20: 7331-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.070
BindingDB Entry DOI: 10.7270/Q2M32W16
More data for this
Ligand-Target Pair
Cytochrome P450 2A6


(Homo sapiens (Human))
BDBM50159250
PNG
(2-Naphthol | 2-naphthalenol | CHEMBL14126 | Naphth...)
Show SMILES Oc1ccc2ccccc2c1
Show InChI InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/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 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))
BDBM50159250
PNG
(2-Naphthol | 2-naphthalenol | CHEMBL14126 | Naphth...)
Show SMILES Oc1ccc2ccccc2c1
Show InChI InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/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 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
Cytochrome P450 2A5


(Mus musculus)
BDBM50159250
PNG
(2-Naphthol | 2-naphthalenol | CHEMBL14126 | Naphth...)
Show SMILES Oc1ccc2ccccc2c1
Show InChI InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
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n/an/a 7.80E+4n/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 2A5


(Mus musculus)
BDBM50159250
PNG
(2-Naphthol | 2-naphthalenol | CHEMBL14126 | Naphth...)
Show SMILES Oc1ccc2ccccc2c1
Show InChI InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
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n/an/a 7.80E+4n/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
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50303901
PNG
(1,4-Dihydroxynaphthalene | 1,4-Naphthohydroquinone...)
Show SMILES Oc1ccc(O)c2ccccc12
Show InChI InChI=1S/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12H
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n/an/a 1.00E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in HEK293 cells assessed as blockade of tryptophan degradation by HPLC


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50303901
PNG
(1,4-Dihydroxynaphthalene | 1,4-Naphthohydroquinone...)
Show SMILES Oc1ccc(O)c2ccccc12
Show InChI InChI=1S/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12H
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant TDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50303901
PNG
(1,4-Dihydroxynaphthalene | 1,4-Naphthohydroquinone...)
Show SMILES Oc1ccc(O)c2ccccc12
Show InChI InChI=1S/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12H
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n/an/a 1.50E+3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50303901
PNG
(1,4-Dihydroxynaphthalene | 1,4-Naphthohydroquinone...)
Show SMILES Oc1ccc(O)c2ccccc12
Show InChI InChI=1S/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12H
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n/an/a 1.00E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant IDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50159250
PNG
(2-Naphthol | 2-naphthalenol | CHEMBL14126 | Naphth...)
Show SMILES Oc1ccc2ccccc2c1
Show InChI InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
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n/an/a 1.70E+4n/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

Activity Spreadsheet -- ITC Data from BindingDB

Found 11 hits for monomerid = 23449,36285,36286,36287,36288,36289,36290,50159250,50303901
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)
BDBM23449
JPEG
(1,3-Dihydroxynaphthalene | Naphthalene-1,3-diol | ...)
GoogleScholar
PDB
PC cid
PC sid
-5.8413.5-19.34.22730



Estacion Experimental del Zaidin





J Biol Chem 281: 7102-9 (2006)

BDBM36284
JPEG
BDBM50159250
JPEG
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-6.933.60-10.65.15725



University of Cambridge





Chemistry 16: 13716-22 (2010)

BDBM36284
JPEG
BDBM36285
JPEG
PC cid
PC sid
PC cid
PC sid
-6.596.98-13.64.86725



University of Cambridge





Chemistry 16: 13716-22 (2010)

BDBM36284
JPEG
BDBM36286
JPEG
PC cid
PC sid
PC cid
PC sid
-6.594.40-11.04.82725



University of Cambridge





Chemistry 16: 13716-22 (2010)

BDBM36284
JPEG
BDBM36285
JPEG
PC cid
PC sid
PC cid
PC sid
-7.86n/an/a5.77725



University of Cambridge





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

BDBM36284
JPEG
BDBM36286
JPEG
PC cid
PC sid
PC cid
PC sid
-7.09n/an/a5.20725



University of Cambridge





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

BDBM36284
JPEG
BDBM36287
JPEG
PC cid
PC sid
PC cid
PC sid
-6.95n/an/a5.11725



University of Cambridge





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

BDBM36284
JPEG
BDBM36288
JPEG
PC cid
PC sid
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-6.65n/an/a4.88725



University of Cambridge





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

BDBM36284
JPEG
BDBM36289
JPEG
PC cid
PC sid
PC cid
PC sid
-6.45n/an/a4.73725



University of Cambridge





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

BDBM36284
JPEG
BDBM36290
JPEG
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-7.50n/an/a5.51725



University of Cambridge





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

BDBM36284
JPEG
BDBM50159250
JPEG
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-7.88n/an/a5.79725



University of Cambridge





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