BDBM60986 MLS001335996::SMR000857330::TANNIC ACID::cid_16129778

SMILES Oc1cc(cc(O)c1O)C(=O)Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1

InChI Key InChIKey=LRBQNJMCXXYXIU-UHFFFAOYSA-N

Data  5 KI  12 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 60986   

TargetChaperonin GroEL(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM60986(cid_16129778 | MLS001335996 | SMR000857330 | TANNI...)
Affinity DataIC50: 1.37E+5nMAssay Description:Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetReplicase polyprotein 1a(SARS-CoV)
Qufu Normal University

Curated by ChEMBL
LigandPNGBDBM60986(cid_16129778 | MLS001335996 | SMR000857330 | TANNI...)
Affinity DataEC50:  8.31E+3nMAssay Description:Inhibition of SARS-CoV 3CLproMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Qufu Normal University

Curated by ChEMBL
LigandPNGBDBM60986(cid_16129778 | MLS001335996 | SMR000857330 | TANNI...)
Affinity DataEC50:  585nMAssay Description:Inhibition of N-terminal His6-tagged recombinant full length SARS-CoV-2 3CLpro expressed in Escherichia coli BL21(DE3) using MCA-AVLQSGFR-Lys(Dnp)-Ly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetGenome polyprotein(DENV-2)
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM60986(cid_16129778 | MLS001335996 | SMR000857330 | TANNI...)
Affinity DataIC50: 130nMAssay Description:Inhibition of Dengue Virus 4 recombinant NS2B-NS3 protease expressed in Escherichia coli using Bz-Nle-Arg-Arg-AMC as substrate incubated for 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetGenome polyprotein(DENV-2)
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM60986(cid_16129778 | MLS001335996 | SMR000857330 | TANNI...)
Affinity DataIC50: 130nMAssay Description:Inhibition of Dengue Virus 3 recombinant NS2B-NS3 protease expressed in Escherichia coli using Bz-Nle-Arg-Arg-AMC as substrate incubated for 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetGenome polyprotein(DENV-2)
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM60986(cid_16129778 | MLS001335996 | SMR000857330 | TANNI...)
Affinity DataIC50: 130nMAssay Description:Inhibition of Dengue Virus 2 recombinant NS2B-NS3 protease expressed in Escherichia coli using Bz-Nle-Arg-Arg-AMC as substrate incubated for 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetGenome polyprotein(DENV-2)
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM60986(cid_16129778 | MLS001335996 | SMR000857330 | TANNI...)
Affinity DataIC50: 130nMAssay Description:Inhibition of Dengue Virus 1 recombinant NS2B-NS3 protease expressed in Escherichia coli using Bz-Nle-Arg-Arg-AMC as substrate incubated for 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Qufu Normal University

Curated by ChEMBL
LigandPNGBDBM60986(cid_16129778 | MLS001335996 | SMR000857330 | TANNI...)
Affinity DataIC50: 2.10E+3nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/27/2022
Entry Details Article
PubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM60986(cid_16129778 | MLS001335996 | SMR000857330 | TANNI...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
Target60 kDa heat shock protein, mitochondrial(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM60986(cid_16129778 | MLS001335996 | SMR000857330 | TANNI...)
Affinity DataIC50: 3.80E+3nMAssay Description:Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM60986(cid_16129778 | MLS001335996 | SMR000857330 | TANNI...)
Affinity DataIC50: 870nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetThiosulfate sulfurtransferase(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM60986(cid_16129778 | MLS001335996 | SMR000857330 | TANNI...)
Affinity DataIC50: 3.90E+4nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetAnthrax toxin receptor 2(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM60986(cid_16129778 | MLS001335996 | SMR000857330 | TANNI...)
Affinity DataIC50: 3.00E+5nMAssay Description:Inhibition of CMG2 (40 to 217) C175A and R40C double mutant (unknown origin) interaction to full length PA E733C mutant expressed in Escherichia coli...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2020
Entry Details Article
PubMed
TargetReverse transcriptase(Human immunodeficiency virus type 1)
University of Illinois

Curated by ChEMBL
LigandPNGBDBM60986(cid_16129778 | MLS001335996 | SMR000857330 | TANNI...)
Affinity DataIC50: 2.93E+4nMAssay Description:Inhibition of HIV1 RTMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Qufu Normal University

Curated by ChEMBL
LigandPNGBDBM60986(cid_16129778 | MLS001335996 | SMR000857330 | TANNI...)
Affinity DataKi:  1.40E+3nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/27/2022
Entry Details Article
PubMed
TargetCarbonic anhydrase(European seabass)
Gumushane University

Curated by ChEMBL
LigandPNGBDBM60986(cid_16129778 | MLS001335996 | SMR000857330 | TANNI...)
Affinity DataKi:  9.41E+3nMAssay Description:Inhibition of Dicentrarchus labrax CA using 4-nitrophenylacetate substrate by esterase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 6(Human)
Gumushane University

Curated by ChEMBL
LigandPNGBDBM60986(cid_16129778 | MLS001335996 | SMR000857330 | TANNI...)
Affinity DataKi:  1.78E+4nMAssay Description:Inhibition of human CA6 using 4-nitrophenylacetate substrate by esterase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Gumushane University

Curated by ChEMBL
LigandPNGBDBM60986(cid_16129778 | MLS001335996 | SMR000857330 | TANNI...)
Affinity DataKi:  3.28E+4nMAssay Description:Inhibition of human CA2 using 4-nitrophenylacetate substrate by esterase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Gumushane University

Curated by ChEMBL
LigandPNGBDBM60986(cid_16129778 | MLS001335996 | SMR000857330 | TANNI...)
Affinity DataKi:  7.59E+4nMAssay Description:Inhibition of human CA1 using 4-nitrophenylacetate substrate by esterase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed