BDBM26187 α-CA inhibitor, 11::CHEMBL14060::US9688816, 2::phenol

SMILES Oc1ccccc1

InChI Key InChIKey=ISWSIDIOOBJBQZ-UHFFFAOYSA-N

Data  97 KI  3 IC50  4 Kd  2 EC50  2 ITC

PDB links: 107 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 106 hits for monomerid = 26187   

TargetCarbonic anhydrase 3(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Affinity DataKi:  2.70E+3nMAssay Description:Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 3(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Affinity DataKi:  2.70E+3nM ΔG°:  -7.59kcal/molepH: 7.4 T: 25°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 ArticlePubMed

TargetCarbonic anhydrase 3(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
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
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 3(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
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
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 3(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Affinity DataKi:  2.70E+3nMAssay Description:Inhibition of human CA3 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 3(Bovine)
Ondokuz Mayis University

LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
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
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 3(Bovine)
Ondokuz Mayis University

LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
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
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 2(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Affinity DataKi:  5.50E+3nMAssay Description:Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 2(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Affinity DataKi:  5.50E+3nM ΔG°:  -7.17kcal/molepH: 7.4 T: 25°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 ArticlePubMed

TargetCarbonic anhydrase 2(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
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
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 2(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
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
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 2(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Affinity DataKi:  5.50E+3nMAssay Description:Inhibition of human CA2 by stopped-flow assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 2(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
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
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 2(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Affinity DataKi:  5.50E+3nMAssay Description:Inhibition of human CA2 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 2(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
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
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 2(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
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
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 2(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
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
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 2(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Affinity DataKi:  5.50E+3nMAssay Description:Inhibition of human carbonic anhydrase 2 by stopped flow assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 2(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
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
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 2(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
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
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 2(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
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
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 9(Human)
Universita Degli Studi Di Firenze

LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
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
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 9(Human)
Universita Degli Studi Di Firenze

LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
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
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 9(Human)
Universita Degli Studi Di Firenze

LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
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
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 9(Human)
Universita Degli Studi Di Firenze

LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
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
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 9(Human)
Universita Degli Studi Di Firenze

LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Affinity DataKi:  8.80E+3nMAssay Description:Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 9(Human)
Universita Degli Studi Di Firenze

LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
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
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 9(Human)
Universita Degli Studi Di Firenze

LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
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
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 9(Human)
Universita Degli Studi Di Firenze

LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Affinity DataKi:  8.80E+3nMAssay Description:Inhibition of human CA9 by stopped-flow assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 9(Human)
Universita Degli Studi Di Firenze

LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Affinity DataKi:  8.80E+3nMAssay Description:Inhibition of human CA9 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 12(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Affinity DataKi:  9.20E+3nMAssay Description:Inhibition of human CA12 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 12(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Affinity DataKi:  9.20E+3nMAssay Description:Inhibition of human CA12 by stopped-flow assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 12(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
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
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 12(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Affinity DataKi:  9.20E+3nMAssay Description:Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 12(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
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
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 12(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
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
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 12(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
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
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 12(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
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
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 4(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Affinity DataKi:  9.50E+3nMAssay Description:Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 4(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Affinity DataKi:  9.50E+3nMAssay Description:Inhibition of human carbonic anhydrase 4 after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 4(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
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
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 4(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
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
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 4(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Affinity DataKi:  9.50E+3nMAssay Description:Inhibition of human CA4 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 4(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Affinity DataKi:  9.70E+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
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 1(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Affinity DataKi:  1.01E+4nMAssay Description:Inhibition of human recombinant alpha-carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 1(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Affinity DataKi:  1.02E+4nM ΔG°:  -6.80kcal/molepH: 7.4 T: 25°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 ArticlePubMed

TargetCarbonic anhydrase 1(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Affinity DataKi:  1.02E+4nMAssay Description:Inhibition of human erythrocytes CA1 using 4-nitrophenylacetate as substrate by esterase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 1(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Affinity DataKi:  1.02E+4nMAssay Description:Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 1(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Affinity DataKi:  1.02E+4nMAssay Description:Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 1(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Affinity DataKi:  1.02E+4nMAssay Description:Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Displayed 1 to 50 (of 106 total ) | Next | Last >>

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 26187   

HostPNGBDBM36284(BDBM36303 | BDBM36310 | Methyl Viologen-Cucurbit[8...)
University of Cambridge

GuestPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
ITC DataΔG°: -5.71kcal/mole −TΔS°: 5.50kcal/mole ΔH°: -11.2kcal/mole logk: 1.50E+4
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(BDBM36303 | BDBM36310 | Methyl Viologen-Cucurbit[8...)
University of Cambridge

GuestPNGBDBM26187(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
ITC DataΔG°: -5.93kcal/mole logk: 2.20E+4
pH: 7.0 T: 25.00°C