BDBM50092612 CHEMBL3586274

SMILES c1cc(c(cc1C/C(=N\O)/C(=O)NCCS(=O)(=O)N)Br)O

InChI Key InChIKey=LZIKVOPNIDEBQJ-UHFFFAOYSA-N

Data  14 KI  1 IC50

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50092612   

TargetHistone deacetylase(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50092612(CHEMBL3586274)
Affinity DataIC50: 40nMAssay Description:Inhibition of HDAC isolated from human H1299 cells using N-terminal biotinylated SGRGKGGKGLGKGGAKRHRKVLRD as substrate with [3H]-acetate at each lysi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2016
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50092612(CHEMBL3586274)
Affinity DataKi:  0.790nMAssay Description:Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50092612(CHEMBL3586274)
Affinity DataKi:  0.790nMAssay Description:Inhibition of recombinant human carbonic anhydrase 12 expressed in Escherichia coli by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 7(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50092612(CHEMBL3586274)
Affinity DataKi:  1.70nMAssay Description:Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50092612(CHEMBL3586274)
Affinity DataKi:  12nMAssay Description:Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50092612(CHEMBL3586274)
Affinity DataKi:  12nMAssay Description:Inhibition of recombinant human carbonic anhydrase 9 expressed in Escherichia coli GOLD BL21 (DE3) by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50092612(CHEMBL3586274)
Affinity DataKi:  48nMAssay Description:Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50092612(CHEMBL3586274)
Affinity DataKi:  48nMAssay Description:Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 4(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50092612(CHEMBL3586274)
Affinity DataKi:  75nMAssay Description:Inhibition of human recombinant carbonic anhydrase 4 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50092612(CHEMBL3586274)
Affinity DataKi:  88nMAssay Description:Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 2(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50092612(CHEMBL3586274)
Affinity DataKi:  88nMAssay Description:Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 5A, mitochondrial(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50092612(CHEMBL3586274)
Affinity DataKi:  154nMAssay Description:Inhibition of human recombinant carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 14(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50092612(CHEMBL3586274)
Affinity DataKi:  379nMAssay Description:Inhibition of human recombinant carbonic anhydrase 14 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 6(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50092612(CHEMBL3586274)
Affinity DataKi:  9.68E+3nMAssay Description:Inhibition of human recombinant carbonic anhydrase 6 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 13(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50092612(CHEMBL3586274)
Affinity DataKi:  1.06E+4nMAssay Description:Inhibition of human recombinant carbonic anhydrase 13 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2017
Entry Details Article
PubMed