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BDBM50109696 3,4,5-Trihydroxy-benzoic acid 7-hydroxy-chroman-3-yl ester::CHEMBL347273

SMILES: Oc1ccc2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1

InChI Key: InChIKey=LOLKYMTZMQQFNZ-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50109696   
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
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

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

Similars

Article
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)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
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

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

Similars

Article
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)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
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

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

Similars

Article
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)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair