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PubMed code 11844664

Compile data set for download or QSAR
Found 35 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109692
PNG
(3,4,5-Trihydroxy-benzoic acid 2-(3,4-dihydroxy-phe...)
Show SMILES Oc1ccc(CCOC(=O)c2cc(O)c(O)c(O)c2)cc1O
Show InChI InChI=1S/C15H14O7/c16-10-2-1-8(5-11(10)17)3-4-22-15(21)9-6-12(18)14(20)13(19)7-9/h1-2,5-7,16-20H,3-4H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 600n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109689
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dimethoxy-chroma...)
Show SMILES COc1cc(OC)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C18H18O8/c1-23-10-6-15(24-2)12-5-11(8-25-16(12)7-10)26-18(22)9-3-13(19)17(21)14(20)4-9/h3-4,6-7,11,19-21H,5,8H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 900n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109688
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dihydroxy-chroma...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H14O8/c17-8-3-11(18)10-5-9(6-23-14(10)4-8)24-16(22)7-1-12(19)15(21)13(20)2-7/h1-4,9,17-21H,5-6H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109694
PNG
(3,4,5-Trihydroxy-benzoic acid chroman-3-yl ester |...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2ccccc2C1
Show InChI InChI=1S/C16H14O6/c17-12-6-10(7-13(18)15(12)19)16(20)22-11-5-9-3-1-2-4-14(9)21-8-11/h1-4,6-7,11,17-19H,5,8H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109688
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dihydroxy-chroma...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H14O8/c17-8-3-11(18)10-5-9(6-23-14(10)4-8)24-16(22)7-1-12(19)15(21)13(20)2-7/h1-4,9,17-21H,5-6H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109690
PNG
(3,4,5-Trihydroxy-benzoic acid 2-(4-hydroxy-phenyl)...)
Show SMILES Oc1ccc(CCOC(=O)c2cc(O)c(O)c(O)c2)cc1
Show InChI InChI=1S/C15H14O6/c16-11-3-1-9(2-4-11)5-6-21-15(20)10-7-12(17)14(19)13(18)8-10/h1-4,7-8,16-19H,5-6H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109688
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dihydroxy-chroma...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H14O8/c17-8-3-11(18)10-5-9(6-23-14(10)4-8)24-16(22)7-1-12(19)15(21)13(20)2-7/h1-4,9,17-21H,5-6H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109694
PNG
(3,4,5-Trihydroxy-benzoic acid chroman-3-yl ester |...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2ccccc2C1
Show InChI InChI=1S/C16H14O6/c17-12-6-10(7-13(18)15(12)19)16(20)22-11-5-9-3-1-2-4-14(9)21-8-11/h1-4,6-7,11,17-19H,5,8H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.10E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109688
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dihydroxy-chroma...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H14O8/c17-8-3-11(18)10-5-9(6-23-14(10)4-8)24-16(22)7-1-12(19)15(21)13(20)2-7/h1-4,9,17-21H,5-6H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109692
PNG
(3,4,5-Trihydroxy-benzoic acid 2-(3,4-dihydroxy-phe...)
Show SMILES Oc1ccc(CCOC(=O)c2cc(O)c(O)c(O)c2)cc1O
Show InChI InChI=1S/C15H14O7/c16-10-2-1-8(5-11(10)17)3-4-22-15(21)9-6-12(18)14(20)13(19)7-9/h1-2,5-7,16-20H,3-4H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.30E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109689
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dimethoxy-chroma...)
Show SMILES COc1cc(OC)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C18H18O8/c1-23-10-6-15(24-2)12-5-11(8-25-16(12)7-10)26-18(22)9-3-13(19)17(21)14(20)4-9/h3-4,6-7,11,19-21H,5,8H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.90E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109695
PNG
(3,4,5-Trihydroxy-benzoic acid phenethyl ester | CH...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OCCc1ccccc1
Show InChI InChI=1S/C15H14O5/c16-12-8-11(9-13(17)14(12)18)15(19)20-7-6-10-4-2-1-3-5-10/h1-5,8-9,16-18H,6-7H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 6.90E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109696
PNG
(3,4,5-Trihydroxy-benzoic acid 7-hydroxy-chroman-3-...)
Show SMILES Oc1ccc2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H14O7/c17-10-2-1-8-3-11(7-22-14(8)6-10)23-16(21)9-4-12(18)15(20)13(19)5-9/h1-2,4-6,11,17-20H,3,7H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 7.60E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109690
PNG
(3,4,5-Trihydroxy-benzoic acid 2-(4-hydroxy-phenyl)...)
Show SMILES Oc1ccc(CCOC(=O)c2cc(O)c(O)c(O)c2)cc1
Show InChI InChI=1S/C15H14O6/c16-11-3-1-9(2-4-11)5-6-21-15(20)10-7-12(17)14(19)13(18)8-10/h1-4,7-8,16-19H,5-6H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 7.90E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109697
PNG
(3,4,5-Trihydroxy-benzoic acid 5-hydroxy-chroman-3-...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2cccc(O)c2C1
Show InChI InChI=1S/C16H14O7/c17-11-2-1-3-14-10(11)6-9(7-22-14)23-16(21)8-4-12(18)15(20)13(19)5-8/h1-5,9,17-20H,6-7H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8.70E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109692
PNG
(3,4,5-Trihydroxy-benzoic acid 2-(3,4-dihydroxy-phe...)
Show SMILES Oc1ccc(CCOC(=O)c2cc(O)c(O)c(O)c2)cc1O
Show InChI InChI=1S/C15H14O7/c16-10-2-1-8(5-11(10)17)3-4-22-15(21)9-6-12(18)14(20)13(19)7-9/h1-2,5-7,16-20H,3-4H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.05E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109692
PNG
(3,4,5-Trihydroxy-benzoic acid 2-(3,4-dihydroxy-phe...)
Show SMILES Oc1ccc(CCOC(=O)c2cc(O)c(O)c(O)c2)cc1O
Show InChI InChI=1S/C15H14O7/c16-10-2-1-8(5-11(10)17)3-4-22-15(21)9-6-12(18)14(20)13(19)7-9/h1-2,5-7,16-20H,3-4H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.07E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109696
PNG
(3,4,5-Trihydroxy-benzoic acid 7-hydroxy-chroman-3-...)
Show SMILES Oc1ccc2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H14O7/c17-10-2-1-8-3-11(7-22-14(8)6-10)23-16(21)9-4-12(18)15(20)13(19)5-9/h1-2,4-6,11,17-20H,3,7H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.08E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109696
PNG
(3,4,5-Trihydroxy-benzoic acid 7-hydroxy-chroman-3-...)
Show SMILES Oc1ccc2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H14O7/c17-10-2-1-8-3-11(7-22-14(8)6-10)23-16(21)9-4-12(18)15(20)13(19)5-9/h1-2,4-6,11,17-20H,3,7H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.63E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109693
PNG
(3,4-Dihydroxy-benzoic acid 5,7-dihydroxy-chroman-3...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H14O7/c17-9-4-13(19)11-6-10(7-22-15(11)5-9)23-16(21)8-1-2-12(18)14(20)3-8/h1-5,10,17-20H,6-7H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.72E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109697
PNG
(3,4,5-Trihydroxy-benzoic acid 5-hydroxy-chroman-3-...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2cccc(O)c2C1
Show InChI InChI=1S/C16H14O7/c17-11-2-1-3-14-10(11)6-9(7-22-14)23-16(21)8-4-12(18)15(20)13(19)5-8/h1-5,9,17-20H,6-7H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.55E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109697
PNG
(3,4,5-Trihydroxy-benzoic acid 5-hydroxy-chroman-3-...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2cccc(O)c2C1
Show InChI InChI=1S/C16H14O7/c17-11-2-1-3-14-10(11)6-9(7-22-14)23-16(21)8-4-12(18)15(20)13(19)5-8/h1-5,9,17-20H,6-7H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.47E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109689
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dimethoxy-chroma...)
Show SMILES COc1cc(OC)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C18H18O8/c1-23-10-6-15(24-2)12-5-11(8-25-16(12)7-10)26-18(22)9-3-13(19)17(21)14(20)4-9/h3-4,6-7,11,19-21H,5,8H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 7.28E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109695
PNG
(3,4,5-Trihydroxy-benzoic acid phenethyl ester | CH...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OCCc1ccccc1
Show InChI InChI=1S/C15H14O5/c16-12-8-11(9-13(17)14(12)18)15(19)20-7-6-10-4-2-1-3-5-10/h1-5,8-9,16-18H,6-7H2
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n/an/a 7.29E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109691
PNG
(3,5-Dihydroxy-benzoic acid 5,7-dihydroxy-chroman-3...)
Show SMILES Oc1cc(O)cc(c1)C(=O)OC1COc2cc(O)cc(O)c2C1
Show InChI InChI=1S/C16H14O7/c17-9-1-8(2-10(18)3-9)16(21)23-12-6-13-14(20)4-11(19)5-15(13)22-7-12/h1-5,12,17-20H,6-7H2
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n/an/a 9.63E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50105587
PNG
(Benzoic acid 5,7-dihydroxy-chroman-3-yl ester | CH...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccccc1
Show InChI InChI=1S/C16H14O5/c17-11-6-14(18)13-8-12(9-20-15(13)7-11)21-16(19)10-4-2-1-3-5-10/h1-7,12,17-18H,8-9H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109689
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dimethoxy-chroma...)
Show SMILES COc1cc(OC)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C18H18O8/c1-23-10-6-15(24-2)12-5-11(8-25-16(12)7-10)26-18(22)9-3-13(19)17(21)14(20)4-9/h3-4,6-7,11,19-21H,5,8H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109694
PNG
(3,4,5-Trihydroxy-benzoic acid chroman-3-yl ester |...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2ccccc2C1
Show InChI InChI=1S/C16H14O6/c17-12-6-10(7-13(18)15(12)19)16(20)22-11-5-9-3-1-2-4-14(9)21-8-11/h1-4,6-7,11,17-19H,5,8H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109693
PNG
(3,4-Dihydroxy-benzoic acid 5,7-dihydroxy-chroman-3...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H14O7/c17-9-4-13(19)11-6-10(7-22-15(11)5-9)23-16(21)8-1-2-12(18)14(20)3-8/h1-5,10,17-20H,6-7H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50105587
PNG
(Benzoic acid 5,7-dihydroxy-chroman-3-yl ester | CH...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccccc1
Show InChI InChI=1S/C16H14O5/c17-11-6-14(18)13-8-12(9-20-15(13)7-11)21-16(19)10-4-2-1-3-5-10/h1-7,12,17-18H,8-9H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109693
PNG
(3,4-Dihydroxy-benzoic acid 5,7-dihydroxy-chroman-3...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H14O7/c17-9-4-13(19)11-6-10(7-22-15(11)5-9)23-16(21)8-1-2-12(18)14(20)3-8/h1-5,10,17-20H,6-7H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109694
PNG
(3,4,5-Trihydroxy-benzoic acid chroman-3-yl ester |...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2ccccc2C1
Show InChI InChI=1S/C16H14O6/c17-12-6-10(7-13(18)15(12)19)16(20)22-11-5-9-3-1-2-4-14(9)21-8-11/h1-4,6-7,11,17-19H,5,8H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50105587
PNG
(Benzoic acid 5,7-dihydroxy-chroman-3-yl ester | CH...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccccc1
Show InChI InChI=1S/C16H14O5/c17-11-6-14(18)13-8-12(9-20-15(13)7-11)21-16(19)10-4-2-1-3-5-10/h1-7,12,17-18H,8-9H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50105587
PNG
(Benzoic acid 5,7-dihydroxy-chroman-3-yl ester | CH...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccccc1
Show InChI InChI=1S/C16H14O5/c17-11-6-14(18)13-8-12(9-20-15(13)7-11)21-16(19)10-4-2-1-3-5-10/h1-7,12,17-18H,8-9H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109693
PNG
(3,4-Dihydroxy-benzoic acid 5,7-dihydroxy-chroman-3...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H14O7/c17-9-4-13(19)11-6-10(7-22-15(11)5-9)23-16(21)8-1-2-12(18)14(20)3-8/h1-5,10,17-20H,6-7H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%