null

SMILES NS(=O)(=O)c1cc(ccc1Cl)C1(O)NC(=O)c2ccccc12

InChI Key InChIKey=JIVPVXMEBJLZRO-UHFFFAOYSA-N

PDB links: 1 PDB ID matches 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 21 hits for monomerid = 25900   

TargetCarbonic anhydrase 7(Homo sapiens (Human))
Universita degli Studi di Firenze

LigandPNGBDBM25900(2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...)copy SMILEScopy InChI
Affinity DataKi:  2.80nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N21P7PubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universita degli Studi di Firenze

LigandPNGBDBM25900(2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...)copy SMILEScopy InChI
Affinity DataKi:  4.5nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N21P7PubMed
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Universita degli Studi di Firenze

LigandPNGBDBM25900(2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...)copy SMILEScopy InChI
Affinity DataKi:  9nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N21P7PubMed
TargetCarbonic anhydrase 13(Mus musculus (mouse))
Universita degli Studi di Firenze

LigandPNGBDBM25900(2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...)copy SMILEScopy InChI
Affinity DataKi:  15nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N21P7PubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universita degli Studi di Firenze

LigandPNGBDBM25900(2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...)copy SMILEScopy InChI
Affinity DataKi:  23nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N21P7PubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universita degli Studi di Firenze

LigandPNGBDBM25900(2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...)copy SMILEScopy InChI
Affinity DataKi:  138nM ΔG°:  -9.35kcal/molepH: 7.4 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
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Universita degli Studi di Firenze

LigandPNGBDBM25900(2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...)copy SMILEScopy InChI
Affinity DataKi:  196nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N21P7PubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universita degli Studi di Firenze

LigandPNGBDBM25900(2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...)copy SMILEScopy InChI
Affinity DataKi:  348nM ΔG°:  -8.80kcal/molepH: 7.4 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N21P7PubMed
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Universita degli Studi di Firenze

LigandPNGBDBM25900(2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...)copy SMILEScopy InChI
Affinity DataKi:  917nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N21P7PubMed
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Universita degli Studi di Firenze

LigandPNGBDBM25900(2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...)copy SMILEScopy InChI
Affinity DataKi:  1.35E+3nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N21P7PubMed
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Universita degli Studi di Firenze

LigandPNGBDBM25900(2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...)copy SMILEScopy InChI
Affinity DataKi:  4.13E+3nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N21P7PubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universita degli Studi di Firenze

LigandPNGBDBM25900(2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...)copy SMILEScopy InChI
Affinity DataKi:  4.50E+3nM ΔG°:  -7.29kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M0449DPubMed
TargetCarbonic anhydrase 3(Homo sapiens (Human))
Universita degli Studi di Firenze

LigandPNGBDBM25900(2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...)copy SMILEScopy InChI
Affinity DataKi:  1.10E+4nM ΔG°:  -6.76kcal/molepH: 7.4 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N21P7PubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universita degli Studi di Firenze

LigandPNGBDBM25900(2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...)copy SMILEScopy InChI
Affinity DataKi:  2.30E+4nM ΔG°:  -6.32kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M0449DPubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universita degli Studi di Firenze

LigandPNGBDBM25900(2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...)copy SMILEScopy InChI
Affinity DataKi:  1.38E+5nM ΔG°:  -5.26kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universita degli Studi di Firenze

LigandPNGBDBM25900(2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...)copy SMILEScopy InChI
Affinity DataKi:  3.48E+5nM ΔG°:  -4.71kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M0449DPubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM25900(2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...)copy SMILEScopy InChI
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universita degli Studi di Firenze

LigandPNGBDBM25900(2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...)copy SMILEScopy InChI
Affinity DataIC50: 260nMAssay Description:Compounds which are CAIs are well known in the art, see for example, Pastorekova et al, Journal of Enzyme Inhibition and Medicinal Chemistry, 19(3), ...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2VT1V5MUS Patent
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM25900(2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...)copy SMILEScopy InChI
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM25900(2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...)copy SMILEScopy InChI
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM25900(2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...)copy SMILEScopy InChI
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed