disulfiram [Ligand Id: 7168] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL964 (Antabuse, Disulfiram, Disulfirame, Esperal, NSC-25953, ORA-102, ORA102)
  • A3 receptor/Adenosine A3 receptor in Human [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
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  • aldehyde dehydrogenase 2 family member/Aldehyde dehydrogenase in Human [ChEMBL: CHEMBL1935] [GtoPdb: 2595] [UniProtKB: P05091]
  • aldehyde dehydrogenase 2 family member/Aldehyde dehydrogenase in Rat [ChEMBL: CHEMBL2812] [GtoPdb: 2595] [UniProtKB: P11884]
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  • α2A-adrenoceptor/Alpha-2a adrenergic receptor in Human [ChEMBL: CHEMBL1867] [GtoPdb: 25] [UniProtKB: P08913]
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  • α2B-adrenoceptor/Alpha-2b adrenergic receptor in Human [ChEMBL: CHEMBL1942] [GtoPdb: 26] [UniProtKB: P18089]
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  • Arachidonate 15-lipoxygenase in Rabbit [ChEMBL: CHEMBL4358] [UniProtKB: P12530]
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  • CCR2/C-C chemokine receptor type 2 in Human [ChEMBL: CHEMBL4015] [GtoPdb: 59] [UniProtKB: P41597]
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  • CCR4/C-C chemokine receptor type 4 in Human [ChEMBL: CHEMBL2414] [GtoPdb: 61] [UniProtKB: P51679]
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  • CCR5/C-C chemokine receptor type 5 in Human [ChEMBL: CHEMBL274] [GtoPdb: 62] [UniProtKB: P51681]
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  • D1 receptor/Dopamine D1 receptor in Human [ChEMBL: CHEMBL2056] [GtoPdb: 214] [UniProtKB: P21728]
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  • D2 receptor/Dopamine D2 receptor in Human [ChEMBL: CHEMBL217] [GtoPdb: 215] [UniProtKB: P14416]
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  • D3 receptor/Dopamine D3 receptor in Human [ChEMBL: CHEMBL234] [GtoPdb: 216] [UniProtKB: P35462]
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  • D4 receptor/Dopamine D4 receptor in Human [ChEMBL: CHEMBL219] [GtoPdb: 217] [UniProtKB: P21917]
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  • euchromatic histone lysine methyltransferase 2/Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 in Human [ChEMBL: CHEMBL6032] [GtoPdb: 2652] [UniProtKB: Q96KQ7]
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  • euchromatic histone lysine methyltransferase 1/Histone-lysine N-methyltransferase, H3 lysine-9 specific 5 in Human [ChEMBL: CHEMBL6031] [GtoPdb: 2651] [UniProtKB: Q9H9B1]
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  • CXCR2/Interleukin-8 receptor B in Human [ChEMBL: CHEMBL2434] [GtoPdb: 69] [UniProtKB: P25025]
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  • κ receptor/Kappa opioid receptor in Human [ChEMBL: CHEMBL237] [GtoPdb: 318] [UniProtKB: P41145]
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  • lysine demethylase 5A/Lysine-specific demethylase 5A in Human [ChEMBL: CHEMBL2424504] [GtoPdb: 2680] [UniProtKB: P29375]
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  • mitogen-activated protein kinase 3/MAP kinase ERK1 in Human [ChEMBL: CHEMBL3385] [GtoPdb: 1494] [UniProtKB: P27361]
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  • monoacylglycerol lipase/Monoglyceride lipase in Human [ChEMBL: CHEMBL4191] [GtoPdb: 1399] [UniProtKB: Q99685]
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  • μ receptor/Mu opioid receptor in Human [ChEMBL: CHEMBL233] [GtoPdb: 319] [UniProtKB: P35372]
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  • NLRP3/NACHT, LRR and PYD domains-containing protein 3 in Mouse [ChEMBL: CHEMBL3779755] [GtoPdb: 1770] [UniProtKB: Q8R4B8]
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  • NET/Norepinephrine transporter in Human [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975]
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  • Replicase polyprotein 1ab in Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC) [ChEMBL: CHEMBL4295557] [UniProtKB: K9N7C7]
  • 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 [ChEMBL: CHEMBL4523582] [GtoPdb: 3125, 3139, 3206, 3261] [UniProtKB: P0DTD1]
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  • 5-HT1B receptor/Serotonin 1b (5-HT1b) receptor in Rat [ChEMBL: CHEMBL3459] [GtoPdb: 2] [UniProtKB: P28564]
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  • 5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595]
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  • 5-HT6 receptor/Serotonin 6 (5-HT6) receptor in Human [ChEMBL: CHEMBL3371] [GtoPdb: 11] [UniProtKB: P50406]
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  • TRPA1/Transient receptor potential cation channel subfamily A member 1 in Human [ChEMBL: CHEMBL6007] [GtoPdb: 485] [UniProtKB: O75762]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
ChEMBL DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA) B 6.7 pKi 201 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA) B 6.45 pIC50 356 nM IC50 DrugMatrix in vitro pharmacology data
aldehyde dehydrogenase 2 family member/Aldehyde dehydrogenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1935] [GtoPdb: 2595] [UniProtKB: P05091]
ChEMBL Inhibition of ALDH2 (unknown origin) B 5.47 pIC50 3400 nM IC50 Bioorg Med Chem Lett (2021) 40: 127958-127958 [PMID:33744437]
aldehyde dehydrogenase 2 family member/Aldehyde dehydrogenase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2812] [GtoPdb: 2595] [UniProtKB: P11884]
ChEMBL Inhibition of recombinant rat ALDH activity in liver mitochondria B 4.4 pIC50 39810.72 nM IC50 J Med Chem (2009) 52: 7310-7314 [PMID:19883085]
GtoPdb - - 4.44 pIC50 36400 nM IC50 Biochem Pharmacol (2000) 60: 947-53 [PMID:10974203]
Aldehyde dehydrogenase 1A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3577] [UniProtKB: P00352]
ChEMBL Inhibition of ALDH1A1 (unknown origin) B 6.89 pIC50 130 nM IC50 Bioorg Med Chem Lett (2021) 40: 127958-127958 [PMID:33744437]
α2A-adrenoceptor/Alpha-2a adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1867] [GtoPdb: 25] [UniProtKB: P08913]
ChEMBL DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912) B 5.74 pKi 1839 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912) B 5.31 pIC50 4904 nM IC50 DrugMatrix in vitro pharmacology data
α2B-adrenoceptor/Alpha-2b adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1942] [GtoPdb: 26] [UniProtKB: P18089]
ChEMBL DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine) B 5.83 pKi 1469 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine) B 5.49 pIC50 3218 nM IC50 DrugMatrix in vitro pharmacology data
Arachidonate 15-lipoxygenase in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4358] [UniProtKB: P12530]
ChEMBL DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid) B 4.79 pIC50 16066 nM IC50 DrugMatrix in vitro pharmacology data
Carbamate kinase in Giardia intestinalis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4802003] [UniProtKB: O97438]
ChEMBL Inhibition of Giardia lamblia carbamate Kinase preincubated for 15 mins followed by ADP and carbamate phosphate addition and measured after 20 mins by ATPLite reagent based luminescence assay B 6.22 pIC50 600 nM IC50 J Med Chem (2020) 63: 13330-13354 [PMID:32869995]
CCR2/C-C chemokine receptor type 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4015] [GtoPdb: 59] [UniProtKB: P41597]
ChEMBL DRUGMATRIX: Chemokine CCR2B radioligand binding (ligand: [125I] MCP-1) B 6.02 pKi 954 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Chemokine CCR2B radioligand binding (ligand: [125I] MCP-1) B 5.61 pIC50 2468 nM IC50 DrugMatrix in vitro pharmacology data
CCR4/C-C chemokine receptor type 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2414] [GtoPdb: 61] [UniProtKB: P51679]
ChEMBL DRUGMATRIX: Chemokine CCR4 radioligand binding (ligand: [125I] TARC) B 5.36 pKi 4397 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Chemokine CCR4 radioligand binding (ligand: [125I] TARC) B 5.08 pIC50 8395 nM IC50 DrugMatrix in vitro pharmacology data
CCR5/C-C chemokine receptor type 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL274] [GtoPdb: 62] [UniProtKB: P51681]
ChEMBL DRUGMATRIX: Chemokine CCR5 radioligand binding (ligand: [125I] MIP-1alpha) B 4.74 pKi 18284 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Chemokine CCR5 radioligand binding (ligand: [125I] MIP-1alpha) B 4.63 pIC50 23661 nM IC50 DrugMatrix in vitro pharmacology data
CYP1A2/Cytochrome P450 1A2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3356] [GtoPdb: 1319] [UniProtKB: P05177]
ChEMBL DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) B 5.4 pIC50 4000 nM IC50 DrugMatrix in vitro pharmacology data
D-3-phosphoglycerate dehydrogenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2311243] [UniProtKB: O43175]
ChEMBL Inhibition of human PHGDH by fluorescence based analysis B 6.23 pIC50 590 nM IC50 Eur J Med Chem (2021) 217: 113379-113379 [PMID:33756126]
D1 receptor/Dopamine D1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2056] [GtoPdb: 214] [UniProtKB: P21728]
ChEMBL DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390) B 5.97 pKi 1079 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390) B 5.67 pIC50 2158 nM IC50 DrugMatrix in vitro pharmacology data
D2 receptor/Dopamine D2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL217] [GtoPdb: 215] [UniProtKB: P14416]
ChEMBL DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone) B 5.12 pKi 7673 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone) B 4.64 pIC50 23018 nM IC50 DrugMatrix in vitro pharmacology data
D3 receptor/Dopamine D3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL234] [GtoPdb: 216] [UniProtKB: P35462]
ChEMBL DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone) B 6.43 pKi 368 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone) B 5.96 pIC50 1084 nM IC50 DrugMatrix in vitro pharmacology data
D4 receptor/Dopamine D4 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL219] [GtoPdb: 217] [UniProtKB: P21917]
ChEMBL DRUGMATRIX: Dopamine D4.2 radioligand binding (ligand: [3H] Spiperone) B 5.96 pKi 1105 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Dopamine D4.2 radioligand binding (ligand: [3H] Spiperone) B 5.5 pIC50 3150 nM IC50 DrugMatrix in vitro pharmacology data
DAT/Dopamine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL238] [GtoPdb: 927] [UniProtKB: Q01959]
ChEMBL DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) B 5.43 pKi 3684 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) B 5.33 pIC50 4637 nM IC50 DrugMatrix in vitro pharmacology data
Fructose-1,6-bisphosphatase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3975] [UniProtKB: P09467]
ChEMBL Inhibition of human liver FBPase C179S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based assay B 5.72 pIC50 1900 nM IC50 J Med Chem (2020) 63: 6238-6247 [PMID:32375478]
ChEMBL Inhibition of wild-type full-length human liver FBPase expressed in Escherichia coli BL21 (DE3) using FBP as substrate by malachite green dye based assay B 5.75 pIC50 1780 nM IC50 Eur J Med Chem (2020) 203: 112500-112500 [PMID:32711108]
ChEMBL Inhibition of human FBPase expressed Escherichia coli BL21 in by malachite green dye based spectrophotometry B 5.82 pIC50 1500 nM IC50 J Med Chem (2022) 65: 9126-9143 [PMID:35786925]
ChEMBL Inhibition of human liver FBPase C183S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based assay B 5.82 pIC50 1500 nM IC50 J Med Chem (2020) 63: 6238-6247 [PMID:32375478]
ChEMBL Inhibition of wild-type full-length human liver FBPase expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based assay B 5.82 pIC50 1500 nM IC50 J Med Chem (2020) 63: 6238-6247 [PMID:32375478]
ChEMBL Inhibition of human liver FBPase C116S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based assay B 5.89 pIC50 1300 nM IC50 J Med Chem (2020) 63: 6238-6247 [PMID:32375478]
ChEMBL Inhibition of human liver FBPase C92S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based assay B 5.92 pIC50 1200 nM IC50 J Med Chem (2020) 63: 6238-6247 [PMID:32375478]
ChEMBL Inhibition of human liver FBPase C281S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based assay B 5.96 pIC50 1100 nM IC50 J Med Chem (2020) 63: 6238-6247 [PMID:32375478]
ChEMBL Inhibition of human liver FBPase C38S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based assay B 6.22 pIC50 600 nM IC50 J Med Chem (2020) 63: 6238-6247 [PMID:32375478]
gasdermin D/Gasdermin-D in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523247] [GtoPdb: 3278] [UniProtKB: P57764]
ChEMBL Inhibition of GSDMD in human monocyte/macrophages assessed as inhibition of pyroptosis in presence of Cu2+ B 6.4 pIC50 400 nM IC50 Medchemcomm (2019) 10: 660-667 [PMID:31191857]
Gasdermin-D in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523446] [UniProtKB: Q9D8T2]
ChEMBL Inhibition of GSDMD in mouse monocyte/macrophages assessed as inhibition of pyroptosis in presence of Cu2+ B 6.4 pIC50 400 nM IC50 Medchemcomm (2019) 10: 660-667 [PMID:31191857]
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 6.22 pIC50 600 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 5.8 pIC50 1600 nM IC50 Bioorg Med Chem Lett (2018) 28: 1234-1238 [PMID:29519735]
CXCR2/Interleukin-8 receptor B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2434] [GtoPdb: 69] [UniProtKB: P25025]
ChEMBL DRUGMATRIX: Chemokine CXCR2 (IL-8B) radioligand binding (ligand: [125I] IL-8) B 5.38 pKi 4209 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Chemokine CXCR2 (IL-8B) radioligand binding (ligand: [125I] IL-8) B 5.22 pIC50 6013 nM IC50 DrugMatrix in vitro pharmacology data
κ receptor/Kappa opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL237] [GtoPdb: 318] [UniProtKB: P41145]
ChEMBL DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine) B 5.61 pKi 2441 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine) B 5.21 pIC50 6103 nM IC50 DrugMatrix in vitro pharmacology data
lysine demethylase 5A/Lysine-specific demethylase 5A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2424504] [GtoPdb: 2680] [UniProtKB: P29375]
ChEMBL Inhibition of JARID1A PHD finger domain (unknown origin) B 5 pIC50 10000 nM IC50 Eur J Med Chem (2017) 136: 14-35 [PMID:28478342]
lysyl oxidase/Lysyl oxidase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2249] [GtoPdb: 3097] [UniProtKB: P28300]
ChEMBL Inhibition of recombinant human LOX expressed in HEK293 cells using diaminopentane as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorimetric method B 6.49 pIC50 320 nM IC50 Bioorg Med Chem Lett (2018) 28: 3113-3118 [PMID:30098867]
lysyl oxidase like 2/Lysyl oxidase homolog 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3714029] [GtoPdb: 2853] [UniProtKB: Q9Y4K0]
ChEMBL Inhibition of recombinant LOXL2 (unknown origin) expressed in NS0 cells using diaminopentane as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorimetric method B 6.82 pIC50 150 nM IC50 Bioorg Med Chem Lett (2018) 28: 3113-3118 [PMID:30098867]
Lysyl oxidase homolog 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105989] [UniProtKB: P58215]
ChEMBL Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentane as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorimetric method B 7.03 pIC50 93 nM IC50 Bioorg Med Chem Lett (2018) 28: 3113-3118 [PMID:30098867]
Lysyl oxidase homolog 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4295926] [UniProtKB: Q96JB6]
ChEMBL Inhibition of recombinant human LOXL4 expressed in baculovirus infected insect cells using diaminopentane as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorimetric method B 7.23 pIC50 59 nM IC50 Bioorg Med Chem Lett (2018) 28: 3113-3118 [PMID:30098867]
mitogen-activated protein kinase 3/MAP kinase ERK1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3385] [GtoPdb: 1494] [UniProtKB: P27361]
ChEMBL DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein) B 5.82 pIC50 1510 nM IC50 DrugMatrix in vitro pharmacology data
Monoamine oxidase A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1951] [GtoPdb: 2489] [UniProtKB: P21397]
ChEMBL DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine) B 4.86 pIC50 13734 nM IC50 DrugMatrix in vitro pharmacology data
monoacylglycerol lipase/Monoglyceride lipase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4191] [GtoPdb: 1399] [UniProtKB: Q99685]
ChEMBL Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting B 5.9 pIC50 1258.93 nM IC50 J Med Chem (2009) 52: 7310-7314 [PMID:19883085]
ChEMBL Inhibition of recombinant human N-terminal His6-tagged and C-terminal Strep-tagged MAGL expressed in Escherichia coli Rosetta using [3H]2-OG as substrate after 10 mins by liquid scintillation counting method B 6.44 pIC50 360 nM IC50 J Med Chem (2017) 60: 4-46 [PMID:27766867]
μ receptor/Mu opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL233] [GtoPdb: 319] [UniProtKB: P35372]
ChEMBL DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine) B 5.85 pKi 1425 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine) B 5.45 pIC50 3511 nM IC50 DrugMatrix in vitro pharmacology data
NLRP3/NACHT, LRR and PYD domains-containing protein 3 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3779755] [GtoPdb: 1770] [UniProtKB: Q8R4B8]
ChEMBL Inhibition of NLRP3 in mouse J774A.1 cells infected with FLA-ST assessed as inhibition of LPS- induced IL-1beta production by ELISA B 5.52 pIC50 3000 nM IC50 Eur J Med Chem (2021) 219: 113417-113417 [PMID:33845232]
NET/Norepinephrine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975]
ChEMBL DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55) B 4.16 pKi 69812 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55) B 4.15 pIC50 70370 nM IC50 DrugMatrix in vitro pharmacology data
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay F 5 pIC50 10000 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 5.2 pIC50 6309.57 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 5.4 pIC50 3981.07 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 5.5 pIC50 3162.28 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 5.6 pIC50 2511.89 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 4.57 pIC50 26800 nM IC50 Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen
ChEMBL Inhibition of recombinant MERS-CoV PL protease using Ub-AFC incubated for 3 mins by fluorescence based analysis B 4.84 pIC50 14600 nM IC50 Bioorg Med Chem (2020) 28: 115757-115757 [PMID:32992245]
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 recombinant SARS CoV-2 PL protease using Ub-AFC incubated for 3 mins by fluorescence based analysis B 4.62 pIC50 24100 nM IC50 Bioorg Med Chem (2020) 28: 115757-115757 [PMID:32992245]
ChEMBL Inhibition of SARS-CoV-2 MPro B 5.03 pIC50 9354.06 nM IC50 Bioorg Med Chem (2021) 29: 115860-115860 [PMID:33191083]
ChEMBL Inhibition of SARS-C0V-2 main protease B 5.03 pIC50 9350 nM IC50 Eur J Med Chem (2023) 257: 115491-115491 [PMID:37244162]
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 5.03 pIC50 9350 nM IC50 Bioorg Med Chem (2021) 29: 115860-115860 [PMID:33191083]
ChEMBL Inhibition of SARS-COV2 main protease using Mca-AVLQ-SGFR-K as substrate by Fluorescence microplate reader assay B 5.03 pIC50 9350 nM IC50 Eur J Med Chem (2021) 213: 113157-113157 [PMID:33486200]
ChEMBL Inhibition of SARS-CoV-2 main protease B 5.03 pIC50 9350 nM IC50 Eur J Med Chem (2020) 201: 112559-112559 [PMID:32563814]
ChEMBL Inhibition of C-terminal His 6 tagged SARS CoV-2 main protease transfected in Escherichia coli BL21 (DE3) B 5.05 pIC50 9000 nM IC50 ACS Med Chem Lett (2023) 14: 1610-1614 [PMID:38116411]
ChEMBL Inhibition of SARS-CoV-2 papain-like protease expressed in Escherichia coli BL21(DE3) using Dabcy-FTLKGGAPTKVTE-Edans-NH2 as substrate by multilabel plate reader analysis B 5.12 pIC50 7520 nM IC50 J Med Chem (2022) 65: 7561-7580 [PMID:35620927]
ChEMBL Inhibition of SARS-CoV 3CL protease using Dabcyl-KNSTLQSGLRKE-Edan as substrate incubated for 30 mins and measured by FRET assay B 5.17 pIC50 6720 nM IC50 Eur J Med Chem (2022) 228: 114030-114030 [PMID:34883292]
ChEMBL Inhibition of SARS-CoV-2 3CL protease using Dabcyl-KNSTLQSGLRKE-Edan as substrate incubated for 30 mins and measured by FRET assay B 5.98 pIC50 1040 nM IC50 Eur J Med Chem (2022) 228: 114030-114030 [PMID:34883292]
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 SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate F 6.66 pIC50 220 nM IC50 Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen
5-HT1B receptor/Serotonin 1b (5-HT1b) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3459] [GtoPdb: 2] [UniProtKB: P28564]
ChEMBL DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol) B 5.67 pKi 2145 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol) B 5.33 pIC50 4720 nM IC50 DrugMatrix in vitro pharmacology data
5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595]
ChEMBL DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) B 4.66 pKi 21984 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) B 4.46 pIC50 34547 nM IC50 DrugMatrix in vitro pharmacology data
5-HT6 receptor/Serotonin 6 (5-HT6) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3371] [GtoPdb: 11] [UniProtKB: P50406]
ChEMBL DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide) B 5.13 pKi 7429 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide) B 4.8 pIC50 16001 nM IC50 DrugMatrix in vitro pharmacology data
TRPA1/Transient receptor potential cation channel subfamily A member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6007] [GtoPdb: 485] [UniProtKB: O75762]
ChEMBL Agonist activity at human TRPA1 channel expressed in CHO cells assessed as increase in intracellular calcium levels F 5.52 pEC50 3000 nM EC50 J Med Chem (2010) 53: 5085-5107 [PMID:20356305]

ChEMBL data shown on this page come from version 34:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]