BDBM29277 CHEMBL451332::sulfonamide, 3

SMILES c1cc(ccc1CCC(=O)O)S(=O)(=O)N

InChI Key InChIKey=JUEONDBIBADVGD-UHFFFAOYSA-N

Data  17 KI

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 29277   

TargetCarbonic anhydrase(Baker's yeast)
Balikesir University

Curated by ChEMBL

LigandBDBM29277(CHEMBL451332 | sulfonamide, 3)Copy SMILESCopy InChI

Affinity DataKi:  165nMAssay Description:Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
12/19/2012
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCarbonic anhydrase(Smooth cauliflower coral)
Centre Scientifique De Monaco

Curated by ChEMBL

LigandBDBM29277(CHEMBL451332 | sulfonamide, 3)Copy SMILESCopy InChI

Affinity DataKi:  256nMAssay Description:Inhibition of Stylophora pistillata carbonic anhydrase by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair

Target InfoUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
8/21/2011
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCarbonic anhydrase(Smooth cauliflower coral)
Centre Scientifique De Monaco

Curated by ChEMBL

LigandBDBM29277(CHEMBL451332 | sulfonamide, 3)Copy SMILESCopy InChI

Affinity DataKi:  256nMAssay Description:Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assayMore data for this Ligand-Target Pair

Target InfoUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
12/25/2012
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCarbonic anhydrase(Smooth cauliflower coral)
Centre Scientifique De Monaco

Curated by ChEMBL

LigandBDBM29277(CHEMBL451332 | sulfonamide, 3)Copy SMILESCopy InChI

Affinity DataKi:  294nMAssay Description:Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair

Target InfoUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
8/21/2011
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCarbonic anhydrase(Cryptococcus neoformans var. grubii (Filobasidiell...)
Universite Degli Studi Di Firenze

LigandBDBM29277(CHEMBL451332 | sulfonamide, 3)Copy SMILESCopy InChI

Affinity DataKi:  440nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/TrEMBL
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
11/10/2009
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCarbonic anhydrase 2(Human)
Union Life Sciences

Curated by ChEMBL

LigandBDBM29277(CHEMBL451332 | sulfonamide, 3)Copy SMILESCopy InChI

Affinity DataKi:  495nMAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow methodMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/7/2013
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCarbonic anhydrase 2(Human)
Union Life Sciences

Curated by ChEMBL

LigandBDBM29277(CHEMBL451332 | sulfonamide, 3)Copy SMILESCopy InChI

Affinity DataKi:  495nMAssay Description:Inhibition of human recombinant CA2 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
8/21/2011
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCarbonic anhydrase 2(Human)
Union Life Sciences

Curated by ChEMBL

LigandBDBM29277(CHEMBL451332 | sulfonamide, 3)Copy SMILESCopy InChI

Affinity DataKi:  495nMAssay Description:Inhibition of human recombinant CA2 by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
12/19/2012
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCarbonic anhydrase 2(Human)
Union Life Sciences

Curated by ChEMBL

LigandBDBM29277(CHEMBL451332 | sulfonamide, 3)Copy SMILESCopy InChI

Affinity DataKi:  495nMAssay Description:Inhibition of human recombinant CA2 by stopped-flow CO2 assayMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
12/25/2012
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCarbonic anhydrase 2(Human)
Union Life Sciences

Curated by ChEMBL

LigandBDBM29277(CHEMBL451332 | sulfonamide, 3)Copy SMILESCopy InChI

Affinity DataKi:  495nMAssay Description:Inhibition of human recombinant CA2 by stopped-flow hydration assayMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
12/26/2012
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCarbonic anhydrase(Yeast)
Universite Degli Studi Di Firenze

LigandBDBM29277(CHEMBL451332 | sulfonamide, 3)Copy SMILESCopy InChI

Affinity DataKi:  1.28E+3nM ΔG°:  -7.90kcal/molepH: 8.3 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
11/10/2009
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCarbonic anhydrase 1(Human)
Centre Scientifique De Monaco

Curated by ChEMBL

LigandBDBM29277(CHEMBL451332 | sulfonamide, 3)Copy SMILESCopy InChI

Affinity DataKi:  6.69E+3nMAssay Description:Inhibition of human recombinant CA1 by stopped-flow CO2 assayMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
12/25/2012
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetCarbonic anhydrase 1(Human)
Centre Scientifique De Monaco

Curated by ChEMBL

LigandBDBM29277(CHEMBL451332 | sulfonamide, 3)Copy SMILESCopy InChI

Affinity DataKi:  6.69E+3nMAssay Description:Inhibition of human recombinant CA1 by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
12/19/2012
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetCarbonic anhydrase 1(Human)
Centre Scientifique De Monaco

Curated by ChEMBL

LigandBDBM29277(CHEMBL451332 | sulfonamide, 3)Copy SMILESCopy InChI

Affinity DataKi:  6.69E+3nMAssay Description:Inhibition of human recombinant CA1 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
8/21/2011
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetCarbonic anhydrase(Mycobacterium tuberculosis)
Kochi Medical School

LigandBDBM29277(CHEMBL451332 | sulfonamide, 3)Copy SMILESCopy InChI

Affinity DataKi:  7.83E+3nM ΔG°:  -6.84kcal/molepH: 8.3 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair

Target InfoKEGG
UniProtKB/TrEMBL
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
6/9/2009
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetBeta-carbonic anhydrase 1(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Kochi Medical School

LigandBDBM29277(CHEMBL451332 | sulfonamide, 3)Copy SMILESCopy InChI

Affinity DataKi:  7.93E+3nM ΔG°:  -6.84kcal/molepH: 8.3 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
6/5/2009
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCarbonic anhydrase 2(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Universita Degli Studi Di Firenze

Curated by ChEMBL

LigandBDBM29277(CHEMBL451332 | sulfonamide, 3)Copy SMILESCopy InChI

Affinity DataKi:  2.84E+4nMAssay Description:Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
12/26/2012
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL