valdecoxib [Ligand Id: 2894] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL865 (Bextra, SC-65872, Valdecoxib)
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  • Alpha carbonic anhydrase in Stylophora pistillata [ChEMBL: CHEMBL1075028] [UniProtKB: B5SU02]
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  • Carbonate dehydratase in Sulfurihydrogenibium sp. (strain YO3AOP1) [ChEMBL: CHEMBL3745586] [UniProtKB: B2V8E3]
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  • Carbonic anhydrase in Mycobacterium tuberculosis [ChEMBL: CHEMBL6068] [UniProtKB: P9WPJ9]
  • Carbonic anhydrase in Methanosarcina thermophila [ChEMBL: CHEMBL3932] [UniProtKB: P40881]
  • Carbonic anhydrase in Stylophora pistillata [ChEMBL: CHEMBL1649055] [UniProtKB: C0IX24]
  • Carbonic anhydrase in Methanobacterium thermoautotrophicum [ChEMBL: CHEMBL3926] [UniProtKB: Q50565]
  • Carbonic anhydrase in Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast) [ChEMBL: CHEMBL5337] [UniProtKB: Q5AJ71]
  • Carbonic anhydrase in Candida glabrata CBS 138 [ChEMBL: CHEMBL6185] [UniProtKB: Q6FTL6]
  • Carbonic anhydrase in Saccharomyces cerevisiae S288c [ChEMBL: CHEMBL5931] [UniProtKB: P53615]
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  • Carbonic anhydrase 2 in Cryptococcus neoformans var. grubii [ChEMBL: CHEMBL1697676] [UniProtKB: Q3I4V7]
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  • Carbonic anhydrase, alpha family in Thiomicrospira crunogena (strain XCL-2) [ChEMBL: CHEMBL3621035] [UniProtKB: Q31FD6]
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  • carbonic anhydrase 1/Carbonic anhydrase I in Human [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915]
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  • carbonic anhydrase 2/Carbonic anhydrase II in Human [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918]
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  • carbonic anhydrase 4/Carbonic anhydrase IV in Human [ChEMBL: CHEMBL3729] [GtoPdb: 2599] [UniProtKB: P22748]
  • Carbonic anhydrase IV in Bovine [ChEMBL: CHEMBL281] [UniProtKB: Q95323]
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  • carbonic anhydrase 9/Carbonic anhydrase IX in Human [ChEMBL: CHEMBL3594] [GtoPdb: 3055] [UniProtKB: Q16790]
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  • carbonic anhydrase 5A/Carbonic anhydrase VA in Human [ChEMBL: CHEMBL4789] [GtoPdb: 3093] [UniProtKB: P35218]
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  • carbonic anhydrase 7/Carbonic anhydrase VII in Human [ChEMBL: CHEMBL2326] [GtoPdb: 2749] [UniProtKB: P43166]
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  • carbonic anhydrase 12/Carbonic anhydrase XII in Human [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570]
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  • carbonic anhydrase 13/Carbonic anhydrase XIII in Human [ChEMBL: CHEMBL3912] [GtoPdb: 2748] [UniProtKB: Q8N1Q1]
  • carbonic anhydrase 13/Carbonic anhydrase XIII in Mouse [ChEMBL: CHEMBL2186] [GtoPdb: 2748] [UniProtKB: Q9D6N1]
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  • carbonic anhydrase 14/Carbonic anhydrase XIV in Human [ChEMBL: CHEMBL3510] [GtoPdb: 2598] [UniProtKB: Q9ULX7]
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  • Cytochrome c oxidase subunit 1 in Sheep [ChEMBL: CHEMBL6011] [UniProtKB: O78749]
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  • Cytochrome c oxidase subunit 2 in Human [ChEMBL: CHEMBL6174] [UniProtKB: P00403]
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  • Delta carbonic anhydrase in Thalassiosira weissflogii [ChEMBL: CHEMBL3097982] [UniProtKB: Q5U9J1]
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  • NET/Norepinephrine transporter in Human [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975]
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  • PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) in Mycobacterium tuberculosis [ChEMBL: CHEMBL5767] [UniProtKB: P96878]
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  • Uncharacterized protein Rv1284/MT1322 in Mycobacterium tuberculosis [ChEMBL: CHEMBL5631] [UniProtKB: P9WPJ7]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
AGAP002992-PA in Anopheles gambiae (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3399914] [UniProtKB: Q5TU56]
ChEMBL Inhibition of Anopheles gambiae carbonic anhydrase pre-incubated for 15 mins by stopped-flow CO2 hydration assay B 6.79 pKi 164 nM Ki Bioorg. Med. Chem. (2015) 23: 2303-2309 [PMID:25882523]
Alpha carbonic anhydrase in Stylophora pistillata (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075028] [UniProtKB: B5SU02]
ChEMBL Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay B 7.54 pKi 28.7 nM Ki Bioorg. Med. Chem. (2009) 17: 5054-5058 [PMID:19520577]
ChEMBL Inhibition of Stylophora pistillata carbonic anhydrase by stopped-flow CO2 hydration assay B 7.54 pKi 28.7 nM Ki Bioorg. Med. Chem. Lett. (2011) 21: 710-714 [PMID:21208801]
Astrosclerin-3 in Astrosclera willeyana (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1944499] [UniProtKB: A6YCJ1]
ChEMBL Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay B 6.29 pKi 517 nM Ki Bioorg. Med. Chem. (2012) 20: 1403-1410 [PMID:22285172]
Carbonate dehydratase in Sulfurihydrogenibium sp. (strain YO3AOP1) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3745586] [UniProtKB: B2V8E3]
ChEMBL Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay B 8.28 pKi 5.3 nM Ki Bioorg. Med. Chem. Lett. (2016) 26: 401-405 [PMID:26691758]
Carbonic anhydrase in Mycobacterium tuberculosis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6068] [UniProtKB: P9WPJ9]
ChEMBL Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay B 6.17 pKi 682 nM Ki Bioorg. Med. Chem. Lett. (2009) 19: 6649-6654 [PMID:19846301]
ChEMBL Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3588c pre-incubated for 15 mins by stopped-flow CO2 hydration method B 6.17 pKi 682 nM Ki J. Med. Chem. (2012) 55: 9619-9629 [PMID:23067387]
Carbonic anhydrase in Methanosarcina thermophila (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3932] [UniProtKB: P40881]
ChEMBL Inhibitory activity against alpha carbonic anhydrase (Co-Cam) from Methanosarcina thermophila B 6.62 pKi 240 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 6001-6006 [PMID:15546717]
ChEMBL Inhibitory activity against alpha carbonic anhydrase (Zn-Cam) from Methanosarcina thermophila B 6.89 pKi 130 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 6001-6006 [PMID:15546717]
Carbonic anhydrase in Stylophora pistillata (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1649055] [UniProtKB: C0IX24]
ChEMBL Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay B 5.24 pKi 5710 nM Ki Bioorg. Med. Chem. Lett. (2011) 21: 710-714 [PMID:21208801]
Carbonic anhydrase in Methanobacterium thermoautotrophicum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3926] [UniProtKB: Q50565]
ChEMBL Inhibitory activity against beta carbonic anhydrase (Cab) from Methanobacterium thermoautotrophicum B 4.21 pKi 61000 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 6001-6006 [PMID:15546717]
Carbonic anhydrase in Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5337] [UniProtKB: Q5AJ71]
ChEMBL Inhibition of Candida albicans recombinant Nce103 by stopped-flow CO2 hydration assay B 6.16 pKi 699 nM Ki Bioorg. Med. Chem. (2009) 17: 4503-4509 [PMID:19450983]
ChEMBL Inhibition of Candida albicans CaNce103 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow method B 6.16 pKi 699 nM Ki J. Med. Chem. (2012) 55: 3513-3520 [PMID:22424239]
Carbonic anhydrase in Candida glabrata CBS 138 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6185] [UniProtKB: Q6FTL6]
ChEMBL Inhibition of recombinant full length Candida glabrata NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase assay B 7.01 pKi 97 nM Ki Bioorg. Med. Chem. Lett. (2013) 23: 2647-2652 [PMID:23511020]
Carbonic anhydrase in Saccharomyces cerevisiae S288c (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5931] [UniProtKB: P53615]
ChEMBL Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay B 6.18 pKi 654 nM Ki Bioorg. Med. Chem. (2009) 17: 1158-1163 [PMID:19124253]
Carbonic anhydrase 15 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5973] [UniProtKB: Q99N23]
ChEMBL Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay B 7.18 pKi 66 nM Ki J. Med. Chem. (2009) 52: 646-654 [PMID:19193158]
Carbonic anhydrase 2 in Cryptococcus neoformans var. grubii (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1697676] [UniProtKB: Q3I4V7]
ChEMBL Inhibition of Cryptococcus neoformans Can2 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow method B 6.15 pKi 704 nM Ki J. Med. Chem. (2012) 55: 3513-3520 [PMID:22424239]
Carbonic anhydrase, alpha family in Thiomicrospira crunogena (strain XCL-2) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3621035] [UniProtKB: Q31FD6]
ChEMBL Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay B 6.28 pKi 529 nM Ki Bioorg. Med. Chem. Lett. (2016) 26: 401-405 [PMID:26691758]
carbonic anhydrase 1/Carbonic anhydrase I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915]
ChEMBL Inhibitory activity against human carbonic anhydrase I (hCA I) by using esterase assay method B 4.27 pKi 54000 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 3757-3762 [PMID:15203157]
ChEMBL Inhibitory activity against human carbonic anhydrase I (hCAI) B 4.27 pKi 54000 nM Ki Bioorg. Med. Chem. Lett. (2005) 15: 1149-1154 [PMID:15686931]
ChEMBL Inhibitory activity against human carbonic anhydrase I at 0.09 uM B 4.27 pKi 54000 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 6001-6006 [PMID:15546717]
ChEMBL Inhibitory activity against cloned human CA1 B 4.27 pKi 54000 nM Ki Bioorg. Med. Chem. Lett. (2006) 16: 437-442 [PMID:16290146]
ChEMBL Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration method B 4.27 pKi 54000 nM Ki J. Med. Chem. (2009) 52: 2226-2232 [PMID:19317447]
ChEMBL Inhibition of human recombinant CA1 by stopped-flow CO2 hydrase assay B 4.27 pKi 54000 nM Ki Bioorg. Med. Chem. (2009) 17: 1158-1163 [PMID:19124253]
ChEMBL Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydrase assay B 4.27 pKi 54000 nM Ki J. Med. Chem. (2009) 52: 646-654 [PMID:19193158]
ChEMBL Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration assay B 4.27 pKi 54000 nM Ki J. Med. Chem. (2009) 52: 3116-3120 [PMID:19338333]
ChEMBL Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydrase method B 4.27 pKi 54000 nM Ki Bioorg. Med. Chem. (2009) 17: 4503-4509 [PMID:19450983]
ChEMBL Inhibition of human recombinant CA1 by stopped-flow CO2 assay B 4.27 pKi 54000 nM Ki Bioorg. Med. Chem. (2009) 17: 5054-5058 [PMID:19520577]
ChEMBL Inhibition of human recombinant CA1 by stopped-flow CO2 hydration assay B 4.27 pKi 54000 nM Ki Bioorg. Med. Chem. Lett. (2011) 21: 710-714 [PMID:21208801]
ChEMBL Inhibition of human carbonic anhydrase I by spectrophotometry at pH 7.5 B 4.27 pKi 54000 nM Ki Bioorg. Med. Chem. (2011) 19: 1172-1178 [PMID:21251841]
ChEMBL Inhibition of human recombinant carbonic anhydrase 1 at pH 7.5 by stopped flow CO2 hydration assay B 4.27 pKi 54000 nM Ki Bioorg. Med. Chem. (2011) 19: 5023-5030 [PMID:21757360]
ChEMBL Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration activity by stopped flow assay B 4.27 pKi 54000 nM Ki Bioorg. Med. Chem. Lett. (2011) 21: 5892-5896 [PMID:21852133]
ChEMBL Inhibition of human recombinant carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay B 4.27 pKi 54000 nM Ki Bioorg. Med. Chem. (2012) 20: 1403-1410 [PMID:22285172]
ChEMBL Inhibition of human recombinant full length CA1 pre-incubated for 15 mins by stopped-flow CO2 hydration method B 4.27 pKi 54000 nM Ki J. Med. Chem. (2012) 55: 9619-9629 [PMID:23067387]
ChEMBL Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay B 4.27 pKi 54000 nM Ki J. Med. Chem. (2012) 55: 10742-10748 [PMID:23181552]
ChEMBL Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration assay B 4.27 pKi 54000 nM Ki J. Med. Chem. (2013) 56: 1761-1771 [PMID:23391336]
ChEMBL Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay B 4.27 pKi 54000 nM Ki Bioorg. Med. Chem. (2013) 21: 1534-1538 [PMID:22883029]
ChEMBL Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay B 4.27 pKi 54000 nM Ki Bioorg. Med. Chem. (2013) 21: 5168-5174 [PMID:23867389]
ChEMBL Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 mins at room temperature followed by 72 hrs at 4 degC by stopped flow CO2 hydration assay B 4.27 pKi 54000 nM Ki Bioorg. Med. Chem. (2013) 21: 5973-5982 [PMID:23965175]
ChEMBL Inhibition of human cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay B 4.27 pKi 54000 nM Ki Bioorg. Med. Chem. (2014) 22: 1586-1595 [PMID:24513184]
ChEMBL Inhibition of human carbonic anhydrase-1 by stopped-flow CO2 hydration assay B 4.27 pKi 54000 nM Ki Bioorg. Med. Chem. (2014) 22: 2939-2946 [PMID:24792813]
ChEMBL Inhibition of human recombinant Carbonic anhydrase 1 compound preincubated for 15 mins by stopped flow CO2 hydrase assay method B 4.27 pKi 54000 nM Ki Bioorg. Med. Chem. (2014) 22: 4537-4543 [PMID:25129169]
ChEMBL Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydration assay B 4.27 pKi 54000 nM Ki Bioorg. Med. Chem. (2015) 23: 526-531 [PMID:25533402]
ChEMBL Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydrase assay B 4.27 pKi 54000 nM Ki Bioorg. Med. Chem. (2015) 23: 1728-1734 [PMID:25773015]
ChEMBL Inhibition of human carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay B 4.27 pKi 54000 nM Ki Bioorg. Med. Chem. (2015) 23: 2303-2309 [PMID:25882523]
ChEMBL Inhibition of human CA1 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay B 4.27 pKi 54000 nM Ki Bioorg. Med. Chem. Lett. (2015) 25: 5485-5489 [PMID:26525863]
ChEMBL Inhibition of recombinant human carbonic anhydrase-1 by stopped flow CO2 hydrase assay B 4.27 pKi 54000 nM Ki Bioorg. Med. Chem. Lett. (2016) 26: 401-405 [PMID:26691758]
ChEMBL Inhibition of human Carbonic anhydrase1 using CO2 as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay B 4.27 pKi 54000 nM Ki Bioorg. Med. Chem. (2016) 24: 1115-1120 [PMID:26850377]
ChEMBL Inhibition of human carbonic anhydrase 1 incubated for 15 mins by stopped-flow CO2 hydration assay B 4.27 pKi 54000 nM Ki Bioorg. Med. Chem. Lett. (2016) 26: 1821-1826 [PMID:26920803]
ChEMBL Inhibition of recombinant human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to 100 sec by Line-Weaver Burk plot analysis B 4.3 pKi >50000 nM Ki Bioorg Med Chem Lett (2017) 27: 490-495 [PMID:28025002]
ChEMBL Inhibition of human carbonic anhydrase-1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to 100 secs by stopped-flow assay B 4.3 pKi >50000 nM Ki Bioorg Med Chem (2017) 25: 3555-3561 [PMID:28511911]
ChEMBL Inhibitory activity against human carbonic anhydrase I was determined B 4.27 pIC50 54000 nM IC50 J. Med. Chem. (2004) 47: 550-557 [PMID:14736236]
ChEMBL Inhibitory activity of compound against human carbonic anhydrase I F 4.27 pIC50 54000 nM IC50 Bioorg. Med. Chem. Lett. (2004) 14: 337-341 [PMID:14698154]
carbonic anhydrase 2/Carbonic anhydrase II in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918]
ChEMBL Inhibitory activity against human carbonic anhydrase II at 0.01 uM B 4.37 pKi 43000 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 6001-6006 [PMID:15546717]
ChEMBL Inhibitory activity against human carbonic anhydrase II (hCAII) B 7.37 pKi 43 nM Ki Bioorg. Med. Chem. Lett. (2005) 15: 1149-1154 [PMID:15686931]
ChEMBL Inhibitory activity against cloned human CA2 B 7.37 pKi 43 nM Ki Bioorg. Med. Chem. Lett. (2006) 16: 437-442 [PMID:16290146]
ChEMBL Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration method B 7.37 pKi 43 nM Ki J. Med. Chem. (2009) 52: 2226-2232 [PMID:19317447]
ChEMBL Inhibition of human recombinant CA2 by stopped-flow CO2 hydrase assay B 7.37 pKi 43 nM Ki Bioorg. Med. Chem. (2009) 17: 1158-1163 [PMID:19124253]
ChEMBL Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydrase assay B 7.37 pKi 43 nM Ki J. Med. Chem. (2009) 52: 646-654 [PMID:19193158]
ChEMBL Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration assay B 7.37 pKi 43 nM Ki J. Med. Chem. (2009) 52: 3116-3120 [PMID:19338333]
ChEMBL Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay B 7.37 pKi 43 nM Ki Bioorg. Med. Chem. (2009) 17: 4503-4509 [PMID:19450983]
ChEMBL Inhibition of human recombinant CA2 by stopped-flow CO2 assay B 7.37 pKi 43 nM Ki Bioorg. Med. Chem. (2009) 17: 5054-5058 [PMID:19520577]
ChEMBL Inhibition of human recombinant CA2 by stopped-flow hydration assay B 7.37 pKi 43 nM Ki Bioorg. Med. Chem. Lett. (2009) 19: 6649-6654 [PMID:19846301]
ChEMBL Inhibition of human recombinant CA2 by stopped-flow CO2 hydration assay B 7.37 pKi 43 nM Ki Bioorg. Med. Chem. Lett. (2011) 21: 710-714 [PMID:21208801]
ChEMBL Inhibition of human carbonic anhydrase II by spectrophotometry at pH 7.5 B 7.37 pKi 43 nM Ki Bioorg. Med. Chem. (2011) 19: 1172-1178 [PMID:21251841]
ChEMBL Inhibition of human recombinant carbonic anhydrase 2 at pH 7.5 by stopped flow CO2 hydration assay B 7.37 pKi 43 nM Ki Bioorg. Med. Chem. (2011) 19: 5023-5030 [PMID:21757360]
ChEMBL Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration activity by stopped flow assay B 7.37 pKi 43 nM Ki Bioorg. Med. Chem. Lett. (2011) 21: 5892-5896 [PMID:21852133]