BDBM50552984 CHEMBL1410976

SMILES COc1cc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc(Br)c1O

InChI Key InChIKey=JNZSQGFQTPSVAW-UHFFFAOYSA-N

Data  5 KI  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50552984   

TargetNAD-dependent protein deacetylase sirtuin-1(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50552984(CHEMBL1410976)
Affinity DataKi:  100nMAssay Description:Inhibition of wild type N-terminal hexa-His-tagged human SIRT1 (156 to 664 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociatio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetNAD-dependent protein deacetylase sirtuin-1(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50552984(CHEMBL1410976)
Affinity DataKi:  650nMAssay Description:Inhibition of N-terminal hexa-His-tagged human SIRT1 F273L mutant (156 to 664 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissocia...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetNAD-dependent protein deacetylase sirtuin-1(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50552984(CHEMBL1410976)
Affinity DataKi:  710nMAssay Description:Inhibition of N-terminal hexa-His-tagged human SIRT1 I347A mutant (156 to 664 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissocia...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetNAD-dependent protein deacetylase sirtuin-1(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50552984(CHEMBL1410976)
Affinity DataIC50: 1.31E+3nMAssay Description:Inhibition of N-terminal hexa-His-tagged human SIRT1 (156 to 664 residues) expressed in Escherichia coli BL21 (DE3) assessed as deacetylation of Abz-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetNAD-dependent protein deacetylase sirtuin-1(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50552984(CHEMBL1410976)
Affinity DataKi:  1.94E+3nMAssay Description:Inhibition of N-terminal hexa-His-tagged human SIRT1 N346A mutant (156 to 664 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissocia...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetNAD-dependent protein deacetylase sirtuin-1(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50552984(CHEMBL1410976)
Affinity DataKi:  1.82E+4nMAssay Description:Inhibition of N-terminal hexa-His-tagged human SIRT1 F414A mutant (156 to 664 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissocia...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetNAD-dependent protein deacylase sirtuin-5, mitochondrial(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50552984(CHEMBL1410976)
Affinity DataIC50: 1.98E+4nMAssay Description:Inhibition of N-terminal 8His-tagged human SIRT5 (34 to 302 residues) expressed in Escherichia coli Rosetta2 (DE3) using Abz-GVLKacAYNO2GY-NH2 peptid...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetNAD-dependent protein deacetylase sirtuin-2(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50552984(CHEMBL1410976)
Affinity DataIC50: 5.40E+4nMAssay Description:Inhibition of GST-fusion tagged human SIRT2 (34 to 356 residues) expressed in Escherichia coli BL21 (DE3) using Abz-GVLKacAYNO2GY-NH2 peptide as subs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetNAD-dependent protein deacetylase sirtuin-3, mitochondrial(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50552984(CHEMBL1410976)
Affinity DataIC50: 1.37E+5nMAssay Description:Inhibition of N-terminal TEV cleavage site-fused hexa-His-tagged human SIRT3 (118 to 399 residues) expressed in Escherichia coli BL21 (DE3) using Abz...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed