ebselen [Ligand Id: 10583] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL51085 (DR-3305, DR3305, Ebselen, NSC-639762, NSC-757883, SPI-1005) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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| Acetylcholinesterase in Electrophorus electricus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4078] [UniProtKB: O42275] | ||||||||
| ChEMBL | Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition measured every 1 min by Ellman's method | B | 4.39 | pIC50 | 41010 | nM | IC50 | J Med Chem (2013) 56: 9089-9099 [PMID:24160297] |
| ChEMBL | Inhibition of electric eel acetylcholinesterase using acetylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition by Ellman's method | B | 4.82 | pIC50 | >15000 | nM | IC50 | Bioorg Med Chem (2014) 22: 1355-1361 [PMID:24461494] |
| acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303] | ||||||||
| ChEMBL | Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition by Ellman's method | B | 4.82 | pIC50 | >15000 | nM | IC50 | Bioorg Med Chem (2014) 22: 1355-1361 [PMID:24461494] |
| ChEMBL | Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 60 to 300 sec by Ellman's method | B | 5.21 | pIC50 | 6200 | nM | IC50 | Medchemcomm (2015) 6: 1930-1941 |
| butyrylcholinesterase/Butyrylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1914] [GtoPdb: 2471] [UniProtKB: P06276] | ||||||||
| ChEMBL | Inhibition of human BuChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 60 to 300 sec by Ellman's method | B | 5.34 | pIC50 | 4600 | nM | IC50 | Medchemcomm (2015) 6: 1930-1941 |
| Cholinesterase in Equus caballus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5763] [UniProtKB: P81908] | ||||||||
| ChEMBL | Inhibition of equine serum butyrylcholinesterase using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition by Ellman's method | B | 4.98 | pIC50 | 10580 | nM | IC50 | Bioorg Med Chem (2014) 22: 1355-1361 [PMID:24461494] |
| ChEMBL | Inhibition of equine serum BuChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition measured every 1 min by Ellman's method | B | 4.98 | pIC50 | 10368 | nM | IC50 | J Med Chem (2013) 56: 9089-9099 [PMID:24160297] |
| Cyclooxygenase-1 in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2860] [UniProtKB: O62664] | ||||||||
| ChEMBL | Inhibition of bovine COX1 | B | 5.68 | pIC50 | 2100 | nM | IC50 | Eur J Med Chem (2008) 43: 1152-1159 [PMID:17976864] |
| epoxide hydrolase 2/Epoxide hydratase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2409] [GtoPdb: 2970] [UniProtKB: P34913] | ||||||||
| ChEMBL | Inhibition of human recombinant soluble epoxide hydrolase using (cyano(6-methoxy-naphthelen-2-yl)methyl trans-[(3-phenyl-oxiran-2-yl)methyl] carbonate) as substrate preincubated for 5 mins prior to substrate addition by fluorescence assay | B | 5.66 | pIC50 | 2200 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 3818-3821 [PMID:23684894] |
| ChEMBL | Inhibition of phosphatase activity of full length human soluble epoxide hydrolase pre-incubated for 30 mins before FDP substrate addition by fluorescence based assay | B | 6.38 | pIC50 | 420 | nM | IC50 | J Med Chem (2019) 62: 8443-8460 [PMID:31436984] |
| ChEMBL | Inhibition of hydrolase activity of full length human soluble epoxide hydrolase pre-incubated for 30 mins before PHOME substrate addition by fluorescence based assay | B | 6.52 | pIC50 | 300 | nM | IC50 | J Med Chem (2019) 62: 8443-8460 [PMID:31436984] |
| ChEMBL | Inhibition of hexa-His-tagged human soluble epoxide hydrolase C-terminal hydrolase domain expressed in Escherichia coli BL21(DE3) pre-incubated for 30 mins before DiFMUP substrate addition by fluorescence based assay | B | 6.96 | pIC50 | 110 | nM | IC50 | J Med Chem (2019) 62: 8443-8460 [PMID:31436984] |
| Gamma-butyrobetaine dioxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2163175] [UniProtKB: O75936] | ||||||||
| ChEMBL | Binding affinity to human BBOX in presence of Fe(II) by tryptophan fluorescence quenching binding assay | B | 5.34 | pKd | 4600 | nM | Kd | Bioorg Med Chem Lett (2014) 24: 4954-4957 [PMID:25266780] |
| ChEMBL | Binding affinity to human BBOX by tryptophan fluorescence quenching binding assay | B | 5.44 | pKd | 3600 | nM | Kd | Bioorg Med Chem Lett (2014) 24: 4954-4957 [PMID:25266780] |
| ChEMBL | Inhibition of human BBOX pre-incubated for 20 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay | B | 6.08 | pIC50 | 830 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 4954-4957 [PMID:25266780] |
| ChEMBL | Inhibition of human BBOX pre-incubated for 15 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay | B | 6.12 | pIC50 | 760 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 4954-4957 [PMID:25266780] |
| ChEMBL | Inhibition of human BBOX pre-incubated for 25 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay | B | 6.14 | pIC50 | 720 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 4954-4957 [PMID:25266780] |
| ChEMBL | Inhibition of human BBOX pre-incubated for 10 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay | B | 6.15 | pIC50 | 710 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 4954-4957 [PMID:25266780] |
| ChEMBL | Inhibition of human BBOX pre-incubated for 1 min using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay | B | 6.16 | pIC50 | 690 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 4954-4957 [PMID:25266780] |
| histone deacetylase 5/Histone deacetylase 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2563] [GtoPdb: 2660] [UniProtKB: Q9UQL6] | ||||||||
| ChEMBL | Inhibition of human recombinant HDAC5 using acetyl-Lys(trifluoroacetyl)-AMC substrate by fluorescence based assay | B | 5.47 | pIC50 | 3400 | nM | IC50 | J Med Chem (2020) 63: 1473-1489 [PMID:31638805] |
| histone deacetylase 6/Histone deacetylase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7] | ||||||||
| ChEMBL | Inhibition of recombinant human HDAC6 using fluorogenic HDAC substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by fluorescence analysis | B | 4.94 | pIC50 | 11500 | nM | IC50 | Bioorg Med Chem (2018) 26: 5718-5729 [PMID:30385227] |
| ChEMBL | Inhibition of human recombinant HDAC6 using RHKKAc-AMC substrate by fluorescence based assay | B | 5.16 | pIC50 | 6900 | nM | IC50 | J Med Chem (2020) 63: 1473-1489 [PMID:31638805] |
| ChEMBL | Inhibition of human recombinant HDAC8 using RHKAcKAc-AMC substrate by fluorescence based assay | B | 5.92 | pIC50 | 1200 | nM | IC50 | J Med Chem (2020) 63: 1473-1489 [PMID:31638805] |
| histone deacetylase 9/Histone deacetylase 9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4145] [GtoPdb: 2620] [UniProtKB: Q9UKV0] | ||||||||
| ChEMBL | Inhibition of human recombinant HDAC9 using acetyl-Lys(trifluoroacetyl)-AMC substrate by fluorescence based assay | B | 5.43 | pIC50 | 3700 | nM | IC50 | J Med Chem (2020) 63: 1473-1489 [PMID:31638805] |
| euchromatic histone lysine methyltransferase 2/Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6032] [GtoPdb: 2652] [UniProtKB: Q96KQ7] | ||||||||
| ChEMBL | Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 PlysS using ARTKQTARKSTGGKA as substrate preincubated for 5 mins followed by substrate/SAM addition measured after 60 mins by MALDI-TOF MS analysis | B | 6.4 | pIC50 | 400 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 1234-1238 [PMID:29519735] |
| euchromatic histone lysine methyltransferase 1/Histone-lysine N-methyltransferase, H3 lysine-9 specific 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6031] [GtoPdb: 2651] [UniProtKB: Q9H9B1] | ||||||||
| ChEMBL | Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 PlysS using ARTKQTARKSTGGKA as substrate preincubated for 5 mins followed by substrate/SAM addition measured after 60 mins by MALDI-TOF MS analysis | B | 6.14 | pIC50 | 730 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 1234-1238 [PMID:29519735] |
| indoleamine 2,3-dioxygenase 1/Indoleamine 2,3-dioxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4685] [GtoPdb: 2829] [UniProtKB: P14902] | ||||||||
| ChEMBL | Binding affinity to human recombinant IDO1 assessed as inhibition constant using L-tryptophan as substrate incubated for 10 mins by methylene blue dye based HPLC analysis | B | 4.03 | pKi | 94000 | nM | Ki | Eur J Med Chem (2021) 211: 113071-113071 [PMID:33341650] |
| ChEMBL | Inhibition of human recombinant IDO1 using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition measured after 10 mins by HPLC analysis | B | 7.03 | pKi | 94 | nM | Ki | J Med Chem (2015) 58: 9421-9437 [PMID:25970480] |
| ChEMBL | Inhibition of recombinant human IDO1 assessed as reduction in formation of N-formylkynurenine using L-tryptophan as substrate by UV-VIS spectrometric method | B | 7.03 | pKi | 94 | nM | Ki | Medchemcomm (2019) 10: 1740-1754 [PMID:32055299] |
| ChEMBL | Inhibition of recombinant human IDO1 expressed in Escherichia coli assessed as reduction in formation of N-formylkynurenine by measuring apparent inhibition constant using L-tryptophan as substrate preincubated with compound for 5 mins followed substrate addition by ascorbate/methylene blue assay | B | 7.03 | pKi | 94 | nM | Ki | Eur J Med Chem (2022) 227: 113892-113892 [PMID:34678572] |
| insulin degrading enzyme/Insulin-degrading enzyme in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293287] [GtoPdb: 2371] [UniProtKB: P14735] | ||||||||
| ChEMBL | Inhibition of human recombinant IDE harboring C110L/C171S/C178A/C257V/C414L/C573N/C590S/C789S/C812A/C819A/C904S/C966N/C974A mutant expressed in Escherichia coli BL21 (DE3) cells using ATTO 655- Cys-Lys-Leu-Val-Phe-Phe-Ala-Glu-Asp-Trp as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by spectrophotometric analysis | B | 4 | pIC50 | >100000 | nM | IC50 | Eur J Med Chem (2019) 179: 557-566 [PMID:31276900] |
| ChEMBL | Inhibition of human recombinant IDE expressed in Escherichia coli BL21 (DE3) cells using ATTO 655- Cys-Lys-Leu-Val-Phe-Phe-Ala-Glu-Asp-Trp as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by spectrophotometric analysis | B | 7.38 | pIC50 | 42 | nM | IC50 | Eur J Med Chem (2019) 179: 557-566 [PMID:31276900] |
| ChEMBL | Inhibition of human recombinant IDE expressed in Escherichia coli BL21 (DE3) cells using insulin as substrate preincubated for 10 mins followed by substrate addition and measured after 15 mins by fluorescence based assay | B | 7.85 | pIC50 | 14 | nM | IC50 | Eur J Med Chem (2019) 179: 557-566 [PMID:31276900] |
| L,D-transpeptidase 2 in Mycobacterium tuberculosis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5291546] [UniProtKB: I6Y9J2] | ||||||||
| ChEMBL | Inhibition of Mycobacterium tuberculosis LdtMt2 assessed as inhibition | B | 6.44 | pIC50 | 360 | nM | IC50 | Eur J Med Chem (2020) 192: 112175-112175 [PMID:32126450] |
| lysine demethylase 5B/Lysine-specific demethylase 5B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3774295] [GtoPdb: 2681] [UniProtKB: Q9UGL1] | ||||||||
| ChEMBL | Inhibition of KDM5B (unknown origin) | B | 5.3 | pIC50 | 5000 | nM | IC50 | Eur J Med Chem (2020) 208: 112760-112760 [PMID:32883639] |
| Macrophage migration inhibitory factor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2085] [UniProtKB: P14174] | ||||||||
| ChEMBL | Inhibition of recombinant human MIF tautomerization expressed in Escherichia coli BL21/DE3 using HPP as substrate preincubated for 15 mins followed by substrate addition measured for 3 mins | B | 6.24 | pKi | 570 | nM | Ki | J Med Chem (2018) 61: 8104-8119 [PMID:29812929] |
| ChEMBL | Inhibition of recombinant human MIF tautomerization expressed in Escherichia coli BL21/DE3 using dopa as substrate | B | 5.62 | pIC50 | 2400 | nM | IC50 | J Med Chem (2018) 61: 8104-8119 [PMID:29812929] |
| Methionyl aminopeptidase 2/Methionine aminopeptidase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3922] [GtoPdb: 1573] [UniProtKB: P50579] | ||||||||
| ChEMBL | Non-covalent/mixed type inhibition of recombinant human MetAP2 using Met-AMC as substrate preincubated for 30 mins followed by substrate addition by spectrofluorimetric method | B | 5.61 | pIC50 | 2430 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 5254-5259 [PMID:27692546] |
| Neutrophil cytosol factor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1613743] [UniProtKB: P14598] | ||||||||
| ChEMBL | Covalent inhibition of recombinant human His-tagged p47phox SH3A-B domain (151 to 285 residues) expressed in Escherichia coli BL21 (DE3) cells interaction with Cy5-p22phox149-162 incubated for 10 mins in presence of TCEP by fluorescence polarization competition assay | B | 3.52 | pKi | >300000 | nM | Ki | J Med Chem (2020) 63: 1156-1177 [PMID:31922756] |
| ChEMBL | Covalent inhibition of recombinant human His-tagged p47phox SH3A-B domain (151 to 285 residues) expressed in Escherichia coli BL21 (DE3) cells interaction with Cy5-p22phox149-162 incubated for 10 mins by fluorescence polarization competition assay | B | 4.2 | pKi | 63000 | nM | Ki | J Med Chem (2020) 63: 1156-1177 [PMID:31922756] |
| ChEMBL | Covalent inhibition of recombinant human His-tagged p47phox SH3A-B domain (151 to 285 residues) expressed in Escherichia coli BL21 (DE3) cells interaction with Cy5-p22phox149-162 incubated for 2 hrs by fluorescence polarization competition assay | B | 4.92 | pKi | 12000 | nM | Ki | J Med Chem (2020) 63: 1156-1177 [PMID:31922756] |
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR green assay | F | 4.8 | pIC50 | 15848.93 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR green assay | F | 4.8 | pIC50 | 15848.93 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay | F | 4.8 | pIC50 | 15848.93 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR green assay | F | 4.8 | pIC50 | 15848.93 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay | F | 4.8 | pIC50 | 15848.93 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay | F | 4.9 | pIC50 | 12589.25 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay | F | 4.9 | pIC50 | 12589.25 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
| Replicase polyprotein 1ab in Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4295557] [UniProtKB: K9N7C7] | ||||||||
| ChEMBL | MERS_3CL Pro protease inhibition IC50 by FRET kind of response from peptide substrate | F | 5 | pIC50 | >10000 | nM | IC50 | Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen |
| CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/CoV Non-structural protein 13/Replicase polyprotein 1ab in Severe acute respiratory syndrome coronavirus 2 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523582] [GtoPdb: 3125, 3139, 3206, 3261] [UniProtKB: P0DTD1] | ||||||||
| ChEMBL | Inhibition of SARS CoV-2 PL protease incubated for 60 mins | B | 5.65 | pIC50 | 2260 | nM | IC50 | J Med Chem (2022) 65: 2716-2746 [PMID:33186044] |
| ChEMBL | Inhibition of SARS-CoV-2 papain-like protease preincubated for 60 mins | B | 5.69 | pIC50 | 2020 | nM | IC50 | J Med Chem (2022) 65: 7561-7580 [PMID:35620927] |
| ChEMBL | Inhibition of SARS CoV-2 3CL protease using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 substrate by FRET assay | B | 6.17 | pIC50 | 670 | nM | IC50 | J Med Chem (2022) 65: 2716-2746 [PMID:33186044] |
| ChEMBL | Inhibition of SARS-CoV-2 main protease | B | 6.17 | pIC50 | 670 | nM | IC50 | Eur J Med Chem (2020) 201: 112559-112559 [PMID:32563814] |
| ChEMBL | Inhibition of recombinant SARS-CoV-2 Main protease expressed in Escherichia coli BL21 (DE3) cells using Mca-AVLQSGFR-K(Dnp)K as substrate preincubated for 15 mins followed by substrate addition by FRET assay | B | 6.17 | pIC50 | 670 | nM | IC50 | J Med Chem (2022) 65: 12500-12534 [PMID:36169610] |
| ChEMBL | Inhibition of SARS-CoV-2 MPro expressed in Escherichia coli BL21 (DE3) using Mca-AVLQ SGFR-K(Dnp)K as substrate by EnVision multimode plate reader analysis | B | 6.17 | pIC50 | 670 | nM | IC50 | Bioorg Med Chem (2021) 29: 115860-115860 [PMID:33191083] |
| ChEMBL | Inhibition of SARS-CoV-2 3CL protease | B | 6.17 | pIC50 | 670 | nM | IC50 | Bioorg Med Chem (2020) 28: 115757-115757 [PMID:32992245] |
| ChEMBL | Inhibition of SARS-CoV-2 main protease expressed in Escherichia coli BL21 (DE3) using Mca-AVLQSGFRK(Dnp)K as substrate by fluorescence assay | B | 6.17 | pIC50 | 670 | nM | IC50 | Eur J Med Chem (2022) 238: 114508-114508 [PMID:35688005] |
| ChEMBL | Inhibition of SARS-CoV-2 main protease | B | 6.17 | pIC50 | 670 | nM | IC50 | J Med Chem (2022) 65: 16902-16917 [PMID:36475694] |
| ChEMBL | Inhibition of SARS-CoV2 main protease | B | 6.17 | pIC50 | 670 | nM | IC50 | J Med Chem (2022) 65: 16252-16267 [PMID:36503248] |
| ChEMBL | Inhibition of recombinant SARS-CoV-2 Main protease expressed in Escherichia coli BL21 (DE3) using Mca-AVLQSGFR-K(Dnp)K as substrate by fluorescence based assay | B | 6.17 | pIC50 | 670 | nM | IC50 | RSC Med Chem (2021) 12: 1026-1036 [PMID:34355175] |
| ChEMBL | Inhibition of SARS-CoV-2 MPro | B | 6.17 | pIC50 | 669.88 | nM | IC50 | Bioorg Med Chem (2021) 29: 115860-115860 [PMID:33191083] |
| ChEMBL | Inhibition of SARS CoV-2 Main protease using MCA-AVLQSGFR-Lys(DNP)-Lys-NH2 peptide as substrate by fluorescence based analysis | B | 6.28 | pIC50 | 520 | nM | IC50 | J Med Chem (2021) 64: 16922-16955 [PMID:34798775] |
| ChEMBL | Inhibition of SARS CoV-2 PL protease using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 substrate by FRET assay | B | 6.62 | pIC50 | 240 | nM | IC50 | J Med Chem (2022) 65: 2716-2746 [PMID:33186044] |
| ChEMBL | SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate | F | 7.52 | pIC50 | 30 | nM | IC50 | Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen |
| Structural capsid protein in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2366504] [UniProtKB: Q76129] | ||||||||
| ChEMBL | Inhibition of HIV 1 capsid CTD dimerization incubated for 5 hrs by TR-FRET assay | B | 7.33 | pIC50 | 46.7 | nM | IC50 | Eur J Med Chem (2021) 217: 113380-113380 [PMID:33751981] |
| Sulfhydryl oxidase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523117] [UniProtKB: O00391] | ||||||||
| ChEMBL | Inhibition of N-terminal poly-histidine tagged recombinant QSOX1 (33 to 546 residues) (unknown origin) expressed in Rosetta-gami B (DE3) cells using using reduced denatured RNAse A substrate by ROS-Glo assay | B | 5.27 | pIC50 | 5400 | nM | IC50 | J Med Chem (2020) 63: 1473-1489 [PMID:31638805] |
| ChEMBL | Inhibition of human Quiescent sulfhydryl oxidase 1 by ROS Glo assay | B | 5.27 | pIC50 | 5400 | nM | IC50 | Eur J Med Chem (2021) 223: 113621-113621 [PMID:34217061] |
| Thioredoxin reductase in Escherichia coli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3638339] [UniProtKB: P0A9P4] | ||||||||
| ChEMBL | Inhibition Assay: All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB assay. | B | 6.52 | pKi | 300 | nM | Ki | US-8592468-B2. Bacterial thioredoxin reductase inhibitors and methods for use thereof (2013) |
| ChEMBL | Inhibition Assay: All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB assay. | B | 5.22 | pIC50 | 6000 | nM | IC50 | US-8592468-B2. Bacterial thioredoxin reductase inhibitors and methods for use thereof (2013) |
| Toxin B in Peptoclostridium difficile (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3580505] [UniProtKB: P18177] | ||||||||
| ChEMBL | Inhibition of Clostridium difficile toxin B | B | 7.76 | pIC50 | 17.2 | nM | IC50 | J Med Chem (2020) 63: 1473-1489 [PMID:31638805] |
| UDP-glucose 4-epimerase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5843] [UniProtKB: Q14376] | ||||||||
| ChEMBL | Inhibition of human GalE by HPAEC assay | B | 7.85 | pIC50 | 14 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 5744-5747 [PMID:16962325] |
| Urease subunit alpha/Urease subunit beta in Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori) (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3885651] [UniProtKB: P14916, P69996] | ||||||||
| ChEMBL | Inhibition of recombinant Helicobacter pylori urease expressed in Escherichia coli rosetta DE3 after 120 mins by Berthelot colorimetric analysis | B | 6.65 | pKi | 226 | nM | Ki | J Med Chem (2016) 59: 8125-8133 [PMID:27524377] |
| ChEMBL | Inhibition of recombinant Helicobacter pylori urease expressed in Escherichia coli rosetta DE3 using urea as substrate assessed as transformed cell urea splitting activity after 2 hrs by Berthelot assay | B | 4.16 | pIC50 | 69000 | nM | IC50 | J Med Chem (2016) 59: 8125-8133 [PMID:27524377] |
| ChEMBL | Inhibition of urease in Helicobacter pylori J99 in Brucella broth using urea as substrate after 2 hrs by Berthelot assay | B | 4.34 | pIC50 | 45400 | nM | IC50 | J Med Chem (2016) 59: 8125-8133 [PMID:27524377] |
| ChEMBL | Inhibition of recombinant Helicobacter pylori urease expressed in Escherichia coli rosetta DE3 using urea as substrate assessed as transformed cell urea splitting activity preincubated for 2 hrs followed by substrate addition measured after 2 hrs by Berthelot assay | B | 5.42 | pIC50 | 3800 | nM | IC50 | J Med Chem (2016) 59: 8125-8133 [PMID:27524377] |
| ChEMBL | Inhibition of urease in Helicobacter pylori J99 in Brucella broth using urea as substrate preincubated for 2 hrs followed by substrate addition measured after 2 hrs by Berthelot assay | B | 5.43 | pIC50 | 3690 | nM | ||