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ChEMBL ligand: CHEMBL265502 (Farma, FARMA-939, Fourneau, Metaret, Naganol, NSC-34936, Suramin, Suramine) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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6-phospho-1-fructokinase in Trypanosoma brucei (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5686] [UniProtKB: O15648] | ||||||||
ChEMBL | Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay | B | 5.52 | pIC50 | 3000 | nM | IC50 | ACS Med Chem Lett (2014) 5: 12-17 [PMID:24900769] |
cathepsin B/Cathepsin B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4072] [GtoPdb: 2343] [UniProtKB: P07858] | ||||||||
ChEMBL | Inhibition of human liver cathepsin B | B | 4.52 | pIC50 | >30000 | nM | IC50 | J Med Chem (2008) 51: 545-552 [PMID:18173229] |
protein kinase, DNA-activated, catalytic subunit/DNA-dependent protein kinase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3142] [GtoPdb: 2800] [UniProtKB: P78527] | ||||||||
ChEMBL | Inhibitory activity against DNA-DNA dependent protein kinase (DNA-PK) | B | 5.77 | pIC50 | 1700 | nM | IC50 | J Med Chem (2003) 46: 1478-1483 [PMID:12672248] |
ectonucleoside triphosphate diphosphohydrolase 2/Ectonucleoside triphosphate diphosphohydrolase 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3300] [GtoPdb: 2889] [UniProtKB: O35795] | ||||||||
ChEMBL | Inhibition of rat recombinant NTPDase2 expressed in CHO cells | B | 4.18 | pKi | 65400 | nM | Ki | Bioorg Med Chem Lett (2006) 16: 5943-5947 [PMID:16997558] |
ChEMBL | Inhibition of rat NTPDase 2 | B | 4.18 | pKi | 65400 | nM | Ki | J Med Chem (2008) 51: 4518-4528 [PMID:18630897] |
Ectonucleoside triphosphate diphosphohydrolase 8 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5338] [UniProtKB: Q5MY95] | ||||||||
ChEMBL | Inhibition of human NTPDase 8 expressed in COS7 cells | B | 4 | pKi | >100000 | nM | Ki | J Med Chem (2008) 51: 4518-4528 [PMID:18630897] |
Human immunodeficiency virus type 1 reverse transcriptase in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL247] [UniProtKB: Q72547] | ||||||||
ChEMBL | Inhibition of purified HIV-2 reverse transcriptase | B | 4.82 | pIC50 | 15000 | nM | IC50 | J Med Chem (1992) 35: 4846-4853 [PMID:1282569] |
ChEMBL | Inhibition of purified HIV-1 reverse transcriptase | B | 5.03 | pIC50 | 9400 | nM | IC50 | J Med Chem (1992) 35: 4846-4853 [PMID:1282569] |
sirtuin 1/NAD-dependent deacetylase sirtuin 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4506] [GtoPdb: 2707] [UniProtKB: Q96EB6] | ||||||||
ChEMBL | Inhibition of SIRT1 (unknown origin) using AMC-Arg-His-Lys-Lys(Ac) substrate assessed as deacetylation of substrate by fluorimetric enzyme assay | B | 5.55 | pIC50 | 2800 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 2768-2772 [PMID:26025875] |
ChEMBL | Inhibition of human SIRT1 using Fluor-de-Lys as substrate | B | 5.55 | pIC50 | 2800 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 3256-3260 [PMID:22464458] |
ChEMBL | In Vitro Biological Assay: 50 uM of substrate peptide (acetylated AMC-labeled peptide from p53 residues 379-382, RHKKAc, BioMol. Cat. #KI-177), 91 nM of human SIRT1 (full length human Sirtuin 1 expressed in E. coli, BioMol. Cat. #SE-239) and 500 uM NAD+ in the assay buffer (50 mM Tris-HCl, pH 8.0, 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2 supplemented with 1 mg/ml BSA for dilution, BioMol. Cat. #KI-143) and 1% final concentration of DMSO were incubated in the presence of gradient concentrations of test compounds (10-dose with 3-fold serial dilution) at 30 C. for 2 h. The reactions were carried out in a 96-well microplate for fluorometry in a 50 ul reaction volume. After the deacetylation reaction, Fluor-de-Lys-Developer II (BioMol. Cat. #KI-176) was added to each well to digest the deacetylated substrate, thus producing the fluorescent signal. The reaction was allowed to develop for 45 minutes at 30 C. with 5% CO2; then the fluorescent signal was measured with an excitation wavelength at 360 nm. | B | 5.58 | pIC50 | 2620 | nM | IC50 | US-8835659-B2. Polysubstituted benzofurans and medicinal applications thereof (2014) |
ChEMBL | Inhibition of full length recombinant human SIRT1 expressed in Escherichia coli BL21 (DE3) PLysS using Fluor-de-Lys as substrate by fluorimetric assay | B | 5.59 | pIC50 | 2600 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 6160-6165 [PMID:22929231] |
ChEMBL | Inhibition of human full length SIRT1 expressed in DE3 cells by fluorimetric assay | B | 6.22 | pIC50 | 600 | nM | IC50 | Bioorg Med Chem (2009) 17: 7031-7041 [PMID:19734050] |
ChEMBL | Inhibition of recombinant human N-terminal GST-tagged full length SIRT1 expressed in Escherichia coli BL21(DE3) using ZMAL as substrate after 4 hrs by homogeneous fluorescent deacetylase assay | B | 6.52 | pIC50 | 300 | nM | IC50 | Medchemcomm (2010) 1: 114-124 |
ChEMBL | Inhibition of human GST-tagged SIRT1 expressed in Escherichia coli BL21(DE3) assessed as inhibition of ZMAL conversion to ZML after 4 hrs by fluorescence assay | B | 6.52 | pIC50 | 300 | nM | IC50 | J Med Chem (2013) 56: 3666-3679 [PMID:23570514] |
ChEMBL | Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay | B | 6.52 | pIC50 | 300 | nM | IC50 | ACS Med Chem Lett (2012) 3: 1050-1053 [PMID:24900427] |
sirtuin 2/NAD-dependent deacetylase sirtuin 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4462] [GtoPdb: 2708] [UniProtKB: Q8IXJ6] | ||||||||
ChEMBL | Inhibition of human His6-tagged SIRT2 expressed in Escherichia coli BL21(DE3) assessed as inhibition of ZMAL conversion to ZML after 4 hrs by fluorescence assay | B | 5.92 | pIC50 | 1200 | nM | IC50 | J Med Chem (2013) 56: 3666-3679 [PMID:23570514] |
ChEMBL | Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay | B | 5.96 | pIC50 | 1100 | nM | IC50 | ACS Med Chem Lett (2012) 3: 1050-1053 [PMID:24900427] |
sirtuin 5/NAD-dependent protein deacylase sirtuin-5, mitochondrial in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2163183] [GtoPdb: 2711] [UniProtKB: Q9NXA8] | ||||||||
ChEMBL | Inhibition of SIRT5 using ZK(suc)A substrate after 1 hr by homogeneous fluorescence assay | B | 4.33 | pIC50 | 46600 | nM | IC50 | ACS Med Chem Lett (2012) 3: 1050-1053 [PMID:24900427] |
ChEMBL | Inhibition of SIRT5 | B | 4.57 | pIC50 | 27000 | nM | IC50 | J Med Chem (2012) 55: 5582-5590 [PMID:22583019] |
ChEMBL | Inhibition of human SIRT5 assessed as reduction in desuccinylase activity using KQTAR(SuK)STGGKA substrate | B | 4.6 | pIC50 | 25000 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 1671-1674 [PMID:25818461] |
ChEMBL | Inhibition of human SIRT5 using H3K9 succinyl peptide substrate | B | 4.6 | pIC50 | 25000 | nM | IC50 | ACS Med Chem Lett (2012) 3: 1050-1053 [PMID:24900427] |
ChEMBL | Inhibition of human recombinant SIRT5 isoform 1 (34 to 302 amino acids) expressed in Escherichia coli BL21 (DE3) codon plus RIL cells assessed as reduction in deacetylase activity using acetylated chicken histone substrate and [3H]-NAD+ | B | 4.66 | pIC50 | 22000 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 1671-1674 [PMID:25818461] |
ChEMBL | Inhibition of human Sirt5 deacetylation activity using FKRGVL-acetylLys-EYGVKV as substrate after 60 mins by glutamate dehydrogenase-coupled assay | B | 4.85 | pIC50 | 14200 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 143-146 [PMID:23195732] |
ChEMBL | Inhibition of SIRT5 (unknown origin) using (DABCYL)ISGASE(SuK)DIVHSE(EDANS)G peptide substrate incubated for 1 hrs followed by 1 hr incubation with trypsin and nicotinamide by HPLC-based assay | B | 5.52 | pIC50 | 3000 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 1671-1674 [PMID:25818461] |
ChEMBL | Inhibition of SIRT5 (unknown origin) using (DABCYL)ISGASE(SuK)DIVHSE(EDANS)G peptide substrate incubated for 1 hrs followed by 1 hr incubation with trypsin and nicotinamide by FRET-based assay | B | 5.7 | pIC50 | 2000 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 1671-1674 [PMID:25818461] |
Nucleoside triphosphate diphosphohydrolase 3 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075237] [UniProtKB: A6I415] | ||||||||
ChEMBL | Inhibition of rat recombinant NTPDase3 expressed in CHO cells | B | 4.9 | pKi | 12700 | nM | Ki | Bioorg Med Chem Lett (2006) 16: 5943-5947 [PMID:16997558] |
P2X1/P2X purinoceptor 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2530] [GtoPdb: 478] [UniProtKB: P47824] | ||||||||
GtoPdb | - | - | 6 | pIC50 | 1000 | nM | IC50 | J Med Chem (2002) 45: 4057-93 [PMID:12213051] |
ChEMBL | The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 1 (P2X1) at 1 uM, expressed in Xenopus oocytes | F | 6 | pEC50 | 1000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
P2X2/P2X purinoceptor 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2135] [GtoPdb: 479] [UniProtKB: P49653] | ||||||||
ChEMBL | Antagonist activity against rat P2X2 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current by two-electrode voltage-clamp electrophysiology | F | 4.4 | pIC50 | 39810.72 | nM | IC50 | J Med Chem (2011) 54: 817-830 [PMID:21207957] |
GtoPdb | - | - | 4.98 | pIC50 | 10400 | nM | IC50 | J Med Chem (2002) 45: 4057-93 [PMID:12213051] |
ChEMBL | Antagonist activity against rat P2X2 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current by two-electrode voltage-clamp electrophysiology | F | 5.4 | pIC50 | 4000 | nM | IC50 | J Med Chem (2011) 54: 817-830 [PMID:21207957] |
ChEMBL | The compound was evaluated for antagonist activity against recombinant rat receptor P2X purinoceptor 2 (P2X2) at 30 uM, expressed in Xenopus oocytes | F | 4.98 | pEC50 | 10400 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
P2X3/P2X purinoceptor 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2998] [GtoPdb: 480] [UniProtKB: P56373] | ||||||||
GtoPdb | - | - | 4.83 | pIC50 | 14900 | nM | IC50 | J Med Chem (2002) 45: 4057-93 [PMID:12213051] |
ChEMBL | Antagonist activity against recombinant human P2X purinoceptor 3 (P2X3 ) | F | 4.83 | pEC50 | 14900 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
ChEMBL | The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 3 (P2X2) at 10 uM, expressed in Xenopus oocytes | F | 5.52 | pEC50 | 3000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
P2X3 in Rat [GtoPdb: 480] [UniProtKB: P49654] | ||||||||
GtoPdb | - | - | 5.52 | pIC50 | 3000 | nM | IC50 | J Med Chem (2002) 45: 4057-93 [PMID:12213051] |
P2X4/P2X purinoceptor 4 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2818] [GtoPdb: 481] [UniProtKB: P51577] | ||||||||
ChEMBL | Antagonist activity against recombinant rat P2X purinoceptor 4 (P2X4) at 3 uM, expressed in Xenopus oocytes | F | 4 | pEC50 | >100000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
P2X5/P2X purinoceptor 5 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2495] [GtoPdb: 482] [UniProtKB: P51578] | ||||||||
GtoPdb | - | - | 5.4 | pIC50 | 4000 | nM | IC50 | J Med Chem (2002) 45: 4057-93 [PMID:12213051] |
ChEMBL | Antagonist activity against recombinant rat P2X purinoceptor 5 (P2X5) | F | 5.4 | pEC50 | 4000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
P2X6/P2X purinoceptor 6 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2122] [GtoPdb: 483] [UniProtKB: P51579] | ||||||||
ChEMBL | Antagonist activity against recombinant rat P2X purinoceptor 6 (P2X6 ) | F | 4 | pEC50 | >100000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
P2X7/P2X purinoceptor 7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4805] [GtoPdb: 484] [UniProtKB: Q99572] | ||||||||
ChEMBL | Antagonist activity against recombinant human P2X purinoceptor 7 (P2X7) | F | 4.04 | pEC50 | 92000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
P2Y purinoceptor 1 in Turkey (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5720] [UniProtKB: P49652] | ||||||||
ChEMBL | Evaluated for antagonist activity against phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of turkey erythrocytes | F | 5 | pEC50 | >10000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
protein arginine methyltransferase 1 /Protein-arginine N-methyltransferase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5524] [GtoPdb: 1252] [UniProtKB: Q99873] | ||||||||
ChEMBL | Inhibition of human recombinant GST-PRMT1 expressed in BL21 cells | B | 4.74 | pIC50 | 18100 | nM | IC50 | J Med Chem (2007) 50: 1241-1253 [PMID:17323938] |
ChEMBL | Inhibition of His6x-tagged PRMT1-mediated protein arginine methylation expressed in Escherichia coli BL21 (DE3) using H4(1-20) and [14C]-SAM by scintillation counting | B | 5.27 | pIC50 | 5330 | nM | IC50 | J Med Chem (2010) 53: 6028-6039 [PMID:20666457] |
P2Y11 receptor/Purinergic receptor P2Y11 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4867] [GtoPdb: 327] [UniProtKB: Q96G91] | ||||||||
ChEMBL | Inhibitory concentration against P2Y purinoceptor 11 expressed in 1321N1 astrocytoma cells; n=6 | B | 6.52 | pKi | 302 | nM | Ki | J Med Chem (2005) 48: 7040-7048 [PMID:16250663] |
ChEMBL | Inhibitory concentration against P2Y purinoceptor 11 expressed in 1321N1 astrocytoma cells; n=3 | B | 6.95 | pKi | 112.2 | nM | Ki | J Med Chem (2005) 48: 7040-7048 [PMID:16250663] |
GtoPdb | - | - | 6 | pIC50 | - | - | - | Br J Pharmacol (1999) 128: 1199-206 [PMID:10578132] |
ChEMBL | The compound was evaluated for antagonist activity against phospholipase C coupled human P2Y purinoceptor 11 (P2Y11) | F | 4.8 | pEC50 | 16000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
P2Y12 receptor/Purinergic receptor P2Y12 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2188] [GtoPdb: 328] [UniProtKB: Q9EPX4] | ||||||||
ChEMBL | Antagonist activity against phospholipase C coupled rat P2Y purinoceptor 12 (P2Y12) | F | 5.4 | pEC50 | 4000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
P2Y2 receptor/Purinergic receptor P2Y2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4398] [GtoPdb: 324] [UniProtKB: P41231] | ||||||||
GtoPdb | - | - | 4.3 | pIC50 | - | - | - |
Br J Pharmacol (1997) 121: 338-44 [PMID:9154346]; Br J Pharmacol (1999) 127: 709-16 [PMID:10401562] |
ChEMBL | Antagonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as inhibition of UTP-induced intracellular calcium mobilization by FLUOstar plate reader | F | 4.3 | pIC50 | 50000 | nM | IC50 | J Med Chem (2008) 51: 4518-4528 [PMID:18630897] |
ChEMBL | Evaluated for agonist activity against phospholipase C coupled recombinant human P2Y purinoceptor 2 (P2Y2) | F | 4.32 | pEC50 | 48000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
P2Y4 receptor/Pyrimidinergic receptor P2Y4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2123] [GtoPdb: 325] [UniProtKB: P51582] | ||||||||
ChEMBL | The compound was evaluated for antagonist activity against phospholipase C coupled recombinant human P2Y purinoceptor 4 (P2Y4) | F | 4 | pEC50 | >100000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
P2Y6 receptor/Pyrimidinergic receptor P2Y6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4714] [GtoPdb: 326] [UniProtKB: Q15077] | ||||||||
ChEMBL | Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced intracellular calcium mobilization by NOVOstar plate reader | F | 4.57 | pIC50 | 27000 | nM | IC50 | J Med Chem (2008) 51: 4518-4528 [PMID:18630897] |
pyruvate kinase M1/2/Pyruvate kinase isozymes M1/M2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075189] [GtoPdb: 3006] [UniProtKB: P14618] | ||||||||
ChEMBL | Binding affinity to PKM2 (unknown origin) | B | 4.78 | pKi | 16500 | nM | Ki | RSC Med Chem (2021) 12: 1121-1141 [PMID:34355179] |
ChEMBL | Binding affinity to PKM1 (unknown origin) | B | 5 | pKi | 10000 | nM | Ki | RSC Med Chem (2021) 12: 1121-1141 [PMID:34355179] |
ChEMBL | Inhibition of PKM2 (unknown origin) | B | 4.48 | pIC50 | 33000 | nM | IC50 | RSC Med Chem (2021) 12: 1121-1141 [PMID:34355179] |
ChEMBL | Inhibition of PKM1 (unknown origin) | B | 4.7 | pIC50 | 20000 | nM | IC50 | RSC Med Chem (2021) 12: 1121-1141 [PMID:34355179] |
pyruvate kinase L/R/Pyruvate kinase isozymes R/L in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075126] [GtoPdb: 3007] [UniProtKB: P30613] | ||||||||
ChEMBL | Binding affinity to PKL (unknown origin) | B | 5.96 | pKi | 1100 | nM | Ki | RSC Med Chem (2021) 12: 1121-1141 [PMID:34355179] |
ChEMBL | Inhibition of PKL (unknown origin) | B | 5.66 | pIC50 | 2200 | nM | IC50 | RSC Med Chem (2021) 12: 1121-1141 [PMID:34355179] |
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 RdRp expressed in Escherichia coli BL21 (DE3) cells incubated for 60 mins by fluorescence based assay | B | 6.59 | pIC50 | 260 | nM | IC50 | Bioorg Med Chem (2023) 80: 117179-117179 [PMID:36716583] |
RmtA in Emericella nidulans (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075069] [UniProtKB: Q5VLE3] | ||||||||
ChEMBL | Inhibition of Aspergillus nidulans recombinant GST-RmtA expressed in BL21 cells | B | 5.23 | pIC50 | 5900 | nM | IC50 | J Med Chem (2007) 50: 1241-1253 [PMID:17323938] |
P2Y1 receptor in Human [GtoPdb: 323] [UniProtKB: P47900] | ||||||||
GtoPdb | - | - | 5.3 | pKi | - | - | - | Mol Pharmacol (2002) 62: 1249-57 [PMID:12391289] |
P2Y13 receptor in Human [GtoPdb: 329] [UniProtKB: Q9BPV8] | ||||||||
GtoPdb | - | - | 5.6 | pIC50 | - | - | - | Mol Pharmacol (2003) 64: 104-12 [PMID:12815166] |
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]