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BDBM33953 dihydroxy benzoyl naphthyl hydrazone (DHBNH)

SMILES: COc1ccc2ccccc2c1\C=N\NC(=O)c1ccc(O)c(O)c1

InChI Key: InChIKey=TVOPERZEGKBKAY-RGVLZGJSSA-N

Data: 9 IC50

PDB links: 1 PDB ID matches 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 9 hits for monomerid = 33953   
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
HIV-1 Reverse Transcriptase RNase H


(Human immunodeficiency virus type 1)
BDBM33953
PNG
(dihydroxy benzoyl naphthyl hydrazone (DHBNH))
Show SMILES COc1ccc2ccccc2c1\C=N\NC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H16N2O4/c1-25-18-9-7-12-4-2-3-5-14(12)15(18)11-20-21-19(24)13-6-8-16(22)17(23)10-13/h2-11,22-23H,1H3,(H,21,24)/b20-11+
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Article
PubMed
n/an/a 500n/an/an/an/a8.037



Rutgers University



Assay Description
To assess the effect of inhibitors, RT RNH activity was measured using a FRET-based microplate fluorescence assay. Briefly, the RNA-DNA hybrid duplex...


ACS Chem Biol 1: 702-12 (2006)


Article DOI: 10.1021/cb600303y
BindingDB Entry DOI: 10.7270/Q2FF3QQC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase RNase H


(Human immunodeficiency virus type 1)
BDBM33953
PNG
(dihydroxy benzoyl naphthyl hydrazone (DHBNH))
Show SMILES COc1ccc2ccccc2c1\C=N\NC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H16N2O4/c1-25-18-9-7-12-4-2-3-5-14(12)15(18)11-20-21-19(24)13-6-8-16(22)17(23)10-13/h2-11,22-23H,1H3,(H,21,24)/b20-11+
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n/an/a>2.50E+4n/an/an/an/a7.837



Rutgers University



Assay Description
HIV-1 RT RDDP activity was generally determined by a fixed time assay. Briefly, reaction mixtures contained p51/p66 RT, template-primer, and [3H]-TTP...


ACS Chem Biol 1: 702-12 (2006)


Article DOI: 10.1021/cb600303y
BindingDB Entry DOI: 10.7270/Q2FF3QQC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase RNase H Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM33953
PNG
(dihydroxy benzoyl naphthyl hydrazone (DHBNH))
Show SMILES COc1ccc2ccccc2c1\C=N\NC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H16N2O4/c1-25-18-9-7-12-4-2-3-5-14(12)15(18)11-20-21-19(24)13-6-8-16(22)17(23)10-13/h2-11,22-23H,1H3,(H,21,24)/b20-11+
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n/an/a 650n/an/an/an/an/an/a



Rutgers University



Assay Description
To assess the effect of inhibitors, RT RNH activity was measured using a FRET-based microplate fluorescence assay. Briefly, the RNA-DNA hybrid duplex...


ACS Chem Biol 1: 702-12 (2006)


Article DOI: 10.1021/cb600303y
BindingDB Entry DOI: 10.7270/Q2FF3QQC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase RNase H Mutant (Y188L)


(Human immunodeficiency virus type 1)
BDBM33953
PNG
(dihydroxy benzoyl naphthyl hydrazone (DHBNH))
Show SMILES COc1ccc2ccccc2c1\C=N\NC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H16N2O4/c1-25-18-9-7-12-4-2-3-5-14(12)15(18)11-20-21-19(24)13-6-8-16(22)17(23)10-13/h2-11,22-23H,1H3,(H,21,24)/b20-11+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Rutgers University



Assay Description
To assess the effect of inhibitors, RT RNH activity was measured using a FRET-based microplate fluorescence assay. Briefly, the RNA-DNA hybrid duplex...


ACS Chem Biol 1: 702-12 (2006)


Article DOI: 10.1021/cb600303y
BindingDB Entry DOI: 10.7270/Q2FF3QQC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM33953
PNG
(dihydroxy benzoyl naphthyl hydrazone (DHBNH))
Show SMILES COc1ccc2ccccc2c1\C=N\NC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H16N2O4/c1-25-18-9-7-12-4-2-3-5-14(12)15(18)11-20-21-19(24)13-6-8-16(22)17(23)10-13/h2-11,22-23H,1H3,(H,21,24)/b20-11+
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UniProtKB/TrEMBL

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PubMed
n/an/a 500n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (IQM, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase RNase H using RNA-DNA hybrid duplex after 30 mins by FRET-based microplate fluorescence assay


Eur J Med Chem 150: 206-227 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.007
BindingDB Entry DOI: 10.7270/Q2D79F0J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase RNase H Mutant (L100I/K103N)


(Human immunodeficiency virus type 1)
BDBM33953
PNG
(dihydroxy benzoyl naphthyl hydrazone (DHBNH))
Show SMILES COc1ccc2ccccc2c1\C=N\NC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H16N2O4/c1-25-18-9-7-12-4-2-3-5-14(12)15(18)11-20-21-19(24)13-6-8-16(22)17(23)10-13/h2-11,22-23H,1H3,(H,21,24)/b20-11+
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n/an/a 700n/an/an/an/an/an/a



Rutgers University



Assay Description
To assess the effect of inhibitors, RT RNH activity was measured using a FRET-based microplate fluorescence assay. Briefly, the RNA-DNA hybrid duplex...


ACS Chem Biol 1: 702-12 (2006)


Article DOI: 10.1021/cb600303y
BindingDB Entry DOI: 10.7270/Q2FF3QQC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase RNase H Mutant (D67N/K70R/T215F/K219Q)


(Human immunodeficiency virus type 1)
BDBM33953
PNG
(dihydroxy benzoyl naphthyl hydrazone (DHBNH))
Show SMILES COc1ccc2ccccc2c1\C=N\NC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H16N2O4/c1-25-18-9-7-12-4-2-3-5-14(12)15(18)11-20-21-19(24)13-6-8-16(22)17(23)10-13/h2-11,22-23H,1H3,(H,21,24)/b20-11+
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n/an/a 500n/an/an/an/an/an/a



Rutgers University



Assay Description
To assess the effect of inhibitors, RT RNH activity was measured using a FRET-based microplate fluorescence assay. Briefly, the RNA-DNA hybrid duplex...


ACS Chem Biol 1: 702-12 (2006)


Article DOI: 10.1021/cb600303y
BindingDB Entry DOI: 10.7270/Q2FF3QQC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM33953
PNG
(dihydroxy benzoyl naphthyl hydrazone (DHBNH))
Show SMILES COc1ccc2ccccc2c1\C=N\NC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H16N2O4/c1-25-18-9-7-12-4-2-3-5-14(12)15(18)11-20-21-19(24)13-6-8-16(22)17(23)10-13/h2-11,22-23H,1H3,(H,21,24)/b20-11+
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UniProtKB/TrEMBL

B.MOAD
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Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (IQM, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase polymerase p51/p66 after 10 to 20 mins in presence of [3H]-TTP by liquid scintillation counting method


Eur J Med Chem 150: 206-227 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.007
BindingDB Entry DOI: 10.7270/Q2D79F0J
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase RNase H Mutant (V106A/Y181C)


(Human immunodeficiency virus type 1)
BDBM33953
PNG
(dihydroxy benzoyl naphthyl hydrazone (DHBNH))
Show SMILES COc1ccc2ccccc2c1\C=N\NC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H16N2O4/c1-25-18-9-7-12-4-2-3-5-14(12)15(18)11-20-21-19(24)13-6-8-16(22)17(23)10-13/h2-11,22-23H,1H3,(H,21,24)/b20-11+
PDB
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Article
PubMed
n/an/a 850n/an/an/an/an/an/a



Rutgers University



Assay Description
To assess the effect of inhibitors, RT RNH activity was measured using a FRET-based microplate fluorescence assay. Briefly, the RNA-DNA hybrid duplex...


ACS Chem Biol 1: 702-12 (2006)


Article DOI: 10.1021/cb600303y
BindingDB Entry DOI: 10.7270/Q2FF3QQC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)