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ChEMBL ligand: CHEMBL865 (Bextra, NSC-759846, SC-65872, Valdecoxib, Valdyn) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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 | Inhibition of full length human cytosolic carbonic anhydrase 1 preincubated for 15 mins by stop flow CO2 hydrase assay | B | 4.27 | pKi | 54000 | nM | Ki | Bioorg Med Chem Lett (2016) 26: 4184-4190 [PMID:27485387] |
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 | 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 | 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 | 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 | 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] |