BDBM26187 α-CA inhibitor, 11::CHEMBL14060::US9688816, 2::phenol
SMILES Oc1ccccc1
InChI Key InChIKey=ISWSIDIOOBJBQZ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 106 hits for monomerid = 26187
Affinity DataIC50: 4.63E+3nMpH: 7.4Assay Description:The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...More data for this Ligand-Target Pair
TargetEndolysin [L99A,M102Q](Enterobacteria phage T4)
University of California San Francisco
Curated by ChEMBL
University of California San Francisco
Curated by ChEMBL
Affinity DataKd: 9.09E+4nMAssay Description:Dissociation constant against T4 lysozyme mutant L99AMore data for this Ligand-Target Pair
3D Structure (crystal)TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Human)
University of Chicago Medical Center
Curated by ChEMBL
University of Chicago Medical Center
Curated by ChEMBL
Affinity DataEC50: 1.00E+6nMAssay Description:Potentiation of GABA responses at human Gamma-aminobutyric acid A receptor alpha-1-beta-2-gamma-2More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Human)
University of Chicago Medical Center
Curated by ChEMBL
University of Chicago Medical Center
Curated by ChEMBL
Affinity DataEC50: 1.00E+8nMAssay Description:Direct activation of human Gamma-aminobutyric acid A receptor alpha-1-beta-2-gamma-2More data for this Ligand-Target Pair
Affinity DataIC50: 2.50E+5nMAssay Description:Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...More data for this Ligand-Target Pair
Affinity DataIC50: 2.50E+5nMAssay Description:Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...More data for this Ligand-Target Pair
Affinity DataKd: 1.09E+5nMAssay Description:Binding affinity to Enterobacteria phage T4 lysozyme L99A/M102E double mutant expressed in Escherichia coli BL21(DE3) by isothermal titration calorim...More data for this Ligand-Target Pair
Affinity DataKd: 1.03E+5nMAssay Description:Binding affinity to Enterobacteria phage T4 lysozyme L99A/M102H double mutant expressed in Escherichia coli BL21(DE3) by isothermal titration calorim...More data for this Ligand-Target Pair
Affinity DataKd: 9.10E+4nMAssay Description:Binding affinity to Enterobacteria phage T4 lysozyme L99A/M102Q double mutant expressed in Escherichia coli BL21(DE3) by isothermal titration calorim...More data for this Ligand-Target Pair
Affinity DataKi: 2.70E+3nM ΔG°: -7.59kcal/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
Affinity DataKi: 2.70E+3nMAssay Description:Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
Affinity DataKi: 2.70E+3nMAssay Description:Inhibition of human carbonic anhydrase 3 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
Affinity DataKi: 2.70E+3nMAssay Description:Inhibition of human CA3 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 2.70E+3nMAssay Description:Inhibition of human carbonic anhydrase 3 after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
Affinity DataKi: 4.60E+3nMpH: 7.4Assay Description:Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...More data for this Ligand-Target Pair
Affinity DataKi: 4.63E+3nMpH: 7.4Assay Description:CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...More data for this Ligand-Target Pair
Affinity DataKi: 5.50E+3nM ΔG°: -7.17kcal/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
Affinity DataKi: 5.50E+3nMAssay Description:Inhibition of human erythrocytes CA2 using 4-nitrophenylacetate as substrate by esterase assayMore data for this Ligand-Target Pair
Affinity DataKi: 5.50E+3nMAssay Description:Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 5.50E+3nMAssay Description:Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
Affinity DataKi: 5.50E+3nMAssay Description:Inhibition of human recombinant alpha-carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 5.50E+3nMAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
Affinity DataKi: 5.50E+3nMAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
Affinity DataKi: 5.50E+3nMAssay Description:Inhibition of human CA2 by stopped-flow assayMore data for this Ligand-Target Pair
Affinity DataKi: 5.50E+3nMAssay Description:Inhibition of human carbonic anhydrase 2 by stopped flow assayMore data for this Ligand-Target Pair
Affinity DataKi: 5.50E+3nMAssay Description:Inhibition of human CA2 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 5.50E+3nMAssay Description:Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
Affinity DataKi: 5.50E+3nMAssay Description:Inhibition of human recombinant carbonic anhydrase 2-mediated CO2 hydration preincubated for 15 mins by stopped-flow assayMore data for this Ligand-Target Pair
Affinity DataKi: 5.60E+3nMAssay Description:Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.More data for this Ligand-Target Pair
Affinity DataKi: 7.40E+3nMpH: 7.4Assay Description:Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...More data for this Ligand-Target Pair
Affinity DataKi: 8.80E+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
Affinity DataKi: 8.80E+3nMAssay Description:Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 8.80E+3nMAssay Description:Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
Affinity DataKi: 8.80E+3nMAssay Description:Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
Affinity DataKi: 8.80E+3nMAssay Description:Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
Affinity DataKi: 8.80E+3nMAssay Description:Inhibition of human CA9 by stopped-flow assayMore data for this Ligand-Target Pair
Affinity DataKi: 8.80E+3nMAssay Description:Inhibition of human CA9 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 8.80E+3nMAssay Description:Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
Affinity DataKi: 8.80E+3nMAssay Description:Inhibition of human recombinant carbonic anhydrase 9-mediated CO2 hydration preincubated for 15 mins by stopped-flow assayMore data for this Ligand-Target Pair
Affinity DataKi: 9.20E+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
Affinity DataKi: 9.20E+3nMAssay Description:Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
Affinity DataKi: 9.20E+3nMAssay Description:Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
Affinity DataKi: 9.20E+3nMAssay Description:Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
Affinity DataKi: 9.20E+3nMAssay Description:Inhibition of human CA12 by stopped-flow assayMore data for this Ligand-Target Pair
Affinity DataKi: 9.20E+3nMAssay Description:Inhibition of human CA12 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 9.20E+3nMAssay Description:Inhibition of human carbonic anhydrase 12 after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
Affinity DataKi: 9.20E+3nMAssay Description:Inhibition of human recombinant carbonic anhydrase 12-mediated CO2 hydration preincubated for 15 mins by stopped-flow assayMore data for this Ligand-Target Pair
Affinity DataKi: 9.50E+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
Affinity DataKi: 9.50E+3nMAssay Description:Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
Affinity DataKi: 9.50E+3nMAssay Description:Inhibition of human carbonic anhydrase 4 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
Activity Spreadsheet -- ITC Data from BindingDB
Found 2 hits for monomerid = 26187
ITC DataΔG°: -5.93kcal/mole logk: 2.20E+4
pH: 7.0 T: 25.00°C
pH: 7.0 T: 25.00°C
ITC DataΔG°: -5.71kcal/mole −TΔS°: 5.50kcal/mole ΔH°: -11.2kcal/mole logk: 1.50E+4
pH: 7.0 T: 25.00°C
pH: 7.0 T: 25.00°C