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ChEMBL ligand: CHEMBL76 (Chloroquine, Chlorochine, NSC-187208, Aralen) |
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32
CHEMBL76_lig_chart_32
MRGPRX1
Human
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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α2A-adrenoceptor/Alpha-2a adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1867] [GtoPdb: 25] [UniProtKB: P08913] | ||||||||
ChEMBL | Activity of compound against Alpha-2A (ADRA2A) adrenergic receptor by displacement of [3H]-rauwolscine | B | 5.36 | pKi | 4365.16 | nM | Ki | A SARS-CoV-2 protein interaction map reveals targets for drug repurposing |
α2B-adrenoceptor/Alpha-2b adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1942] [GtoPdb: 26] [UniProtKB: P18089] | ||||||||
ChEMBL | Activity of compound against Alpha 2B (ADRA2B) adrenergic receptor by displacement of [3H]-rauwolscine | B | 4.5 | pKi | 31622.78 | nM | Ki | A SARS-CoV-2 protein interaction map reveals targets for drug repurposing |
α2C-adrenoceptor/Alpha-2c adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1916] [GtoPdb: 27] [UniProtKB: P18825] | ||||||||
ChEMBL | Activity of compound against Alpha 2C (ADRA2C) adrenergic receptor by displacement of [3H]-rauwolscine | B | 5 | pKi | 10000 | nM | Ki | A SARS-CoV-2 protein interaction map reveals targets for drug repurposing |
Beta amyloid A4 protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2487] [UniProtKB: P05067] | ||||||||
ChEMBL | Modulation of human wild-type APP695 expressed in SH-SY5Y cells assessed as inhibition of amyloid beta (1 to 42 residues) production measured after 24 hrs by ELISA | B | 4.89 | pIC50 | 12800 | nM | IC50 | Bioorg Med Chem (2018) 26: 2151-2164 [PMID:29559198] |
ChEMBL | Modulation of human wild-type APP695 expressed in SH-SY5Y cells assessed as inhibition of amyloid beta (1 to 40 residues) production measured after 24 hrs | B | 5.15 | pIC50 | 7000 | nM | IC50 | Bioorg Med Chem (2018) 26: 2151-2164 [PMID:29559198] |
beta-secretase 1/Beta-secretase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4822] [GtoPdb: 2330] [UniProtKB: P56817] | ||||||||
ChEMBL | Inhibition of BACE1 in human SH-SY5Y cells harboring wild type APP695 assessed as reduction in amyloid beta (1 to 42) level after 24 hrs by ELISA method | B | 4.9 | pIC50 | 12700 | nM | IC50 | Eur J Med Chem (2018) 159: 104-125 [PMID:30268822] |
ChEMBL | Inhibition of BACE1 in human SH-SY5Y cells harboring wild type APP695 assessed as reduction in amyloid beta (1 to 40) level after 24 hrs by ELISA method | B | 5.15 | pIC50 | 7000 | nM | IC50 | Eur J Med Chem (2018) 159: 104-125 [PMID:30268822] |
Dihydrofolate reductase in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075051] [UniProtKB: P00376] | ||||||||
ChEMBL | Inhibition of bovine liver DHFR | B | 7.52 | pIC50 | 30.1 | nM | IC50 | Bioorg Med Chem (2017) 25: 5396-5406 [PMID:28789907] |
ChEMBL | Inhibition of bovine liver DHFR pre-incubated 2 mins before dihydrofolic acid substrate addition and measured over 10 mins in presence of NADPH | B | 7.52 | pIC50 | 30.1 | nM | IC50 | Bioorg Med Chem (2017) 25: 4064-4075 [PMID:28634040] |
Falcipain 2 in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1697672] [UniProtKB: Q9NAW2] | ||||||||
ChEMBL | Inhibition of falcipain-2 in chloroquine resistant Plasmodium falciparum RKL9 schizont stage infected in human erythrocytes assessed as reduction in bacterial growth after 24 hrs by Giemsa staining based assay | B | 6.7 | pIC50 | 200 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 1566-1569 [PMID:29602682] |
Hemozoin in Plasmodium falciparum (target type: MACROMOLECULE) [ChEMBL: CHEMBL613898] | ||||||||
ChEMBL | Inhibition of beta-hematin formation assessed as reduction in hemozoin formation incubated for 16 hrs by NP40 detergent-mediated assay | B | 4.13 | pIC50 | 74000 | nM | IC50 | Eur J Med Chem (2019) 180: 121-133 [PMID:31301563] |
ChEMBL | Inhibition of beta-hematin formation assessed as reduction in hemozoin formation incubated for 5 hrs by NP40 detergent-based assay | B | 4.28 | pIC50 | 53000 | nM | IC50 | MedChemComm (2019) 10: 450-455 |
ChEMBL | Inhibition of beta-hematin | B | 4.28 | pIC50 | 53000 | nM | IC50 | J Med Chem (2016) 59: 6512-6530 [PMID:27299916] |
ChEMBL | Inhibition of beta-hematin in water/NP40/DMSO solution incubated for 5 to 6hrs by detergent-mediated pyridine-ferrichrome method | B | 4.5 | pIC50 | 31500 | nM | IC50 | J Med Chem (2016) 59: 6512-6530 [PMID:27299916] |
ChEMBL | Inhibition of beta hematin formation after 5 hrs by NP40 detergent-based assay | B | 4.74 | pIC50 | 18000 | nM | IC50 | J Med Chem (2019) 62: 1022-1035 [PMID:30562027] |
Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
ChEMBL | Inhibition of human ERG expressed in CHO cells | B | 5.12 | pKi | 7500 | nM | Ki | ACS Med. Chem. Lett. (2013) 4: 1037-1041 [PMID:24900603] |
ChEMBL | Inhibition of human ERG | B | 5.6 | pIC50 | 2511.89 | nM | IC50 | Eur. J. Med. Chem. (2011) 46: 618-630 [PMID:21185626] |
ChEMBL | Inhibitory concentration against IKr potassium channel | B | 5.6 | pIC50 | 2500 | nM | IC50 | Bioorg. Med. Chem. Lett. (2004) 14: 4771-4777 [PMID:15324906] |
ChEMBL | Inhibition of human cloned ERG | B | 5.6 | pIC50 | 2500 | nM | IC50 | J. Med. Chem. (2009) 52: 1408-1415 [PMID:19222165] |
ChEMBL | Inhibition of human ERG expressed in HEK293 cells assessed as reduction in tail current at membrane potential of +20 mV | B | 5.6 | pIC50 | 2500 | nM | IC50 | Bioorg. Med. Chem. Lett. (2015) 25: 1390-1393 [PMID:25746816] |
Histidine-rich protein in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1923] [UniProtKB: P05227] | ||||||||
ChEMBL | Inhibition of 1-monooleoyl glycerol (MOG) induced beta-hematin formation | F | 4.12 | pIC50 | 76500 | nM | IC50 | Bioorg. Med. Chem. Lett. (2003) 13: 3783-3787 [PMID:14552779] |
ChEMBL | Inhibition of beta-hematin formation in Plasmodium falciparum | F | 4.12 | pIC50 | 75000 | nM | IC50 | Bioorg. Med. Chem. Lett. (2001) 11: 2075-2077 [PMID:11514142] |
ChEMBL | Inhibition of 1-monooleoyl glycerol induced beta-hematin formation | F | 4.22 | pIC50 | 60000 | nM | IC50 | Bioorg. Med. Chem. Lett. (2006) 16: 31-35 [PMID:16263280] |
ChEMBL | Inhibition of lipid-induced beta-hematin formation | F | 4.33 | pIC50 | 46300 | nM | IC50 | J. Med. Chem. (2006) 49: 4707-4714 [PMID:16854077] |
ChEMBL | Inhibition of beta-hematin formation | F | 4.42 | pIC50 | 38000 | nM | IC50 | J. Med. Chem. (2002) 45: 4975-4983 [PMID:12408708] |
ChEMBL | Inhibition of beta-hematin formation after 16 hrs | F | 4.81 | pIC50 | 15400 | nM | IC50 | Antimicrob. Agents Chemother. (2007) 51: 2842-2847 [PMID:17562796] |
ChEMBL | Inhibition of hematin polymerization | F | 4.82 | pIC50 | 15000 | nM | IC50 | J. Med. Chem. (1999) 42: 4630-4639 [PMID:10579825] |
ChEMBL | Inhibition of beta-hematin polymerization | B | 6.4 | pIC50 | 400 | nM | IC50 | J. Med. Chem. (2007) 50: 394-398 [PMID:17228883] |
ChEMBL | Inhibitory activity against beta-hematin formation | F | 7.12 | pIC50 | 76.5 | nM | IC50 | J. Med. Chem. (2003) 46: 542-557 [PMID:12570376] |
M1 receptor/Muscarinic acetylcholine receptor M1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL216] [GtoPdb: 13] [UniProtKB: P11229] | ||||||||
ChEMBL | Activity of compound against Muscarinic acetylcholine receptor M1 (CHRM1) by displacement of 3H-QNB | B | 5.04 | pKi | 9120.11 | nM | Ki | A SARS-CoV-2 protein interaction map reveals targets for drug repurposing |
M2 receptor/Muscarinic acetylcholine receptor M2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL211] [GtoPdb: 14] [UniProtKB: P08172] | ||||||||
ChEMBL | Activity of compound against Muscarinic acetylcholine receptor M2 (CHRM2) by displacement of 3H-QNB | B | 5.33 | pKi | 4677.35 | nM | Ki | A SARS-CoV-2 protein interaction map reveals targets for drug repurposing |
M3 receptor/Muscarinic acetylcholine receptor M3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL245] [GtoPdb: 15] [UniProtKB: P20309] | ||||||||
ChEMBL | Activity of compound against Muscarinic acetylcholine receptor M3 (CHRM3) by displacement of 3H-QNB | B | 5.48 | pKi | 3311.31 | nM | Ki | A SARS-CoV-2 protein interaction map reveals targets for drug repurposing |
M4 receptor/Muscarinic acetylcholine receptor M4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1821] [GtoPdb: 16] [UniProtKB: P08173] | ||||||||
ChEMBL | Activity of compound against Muscarinic acetylcholine receptor M4 (CHRM4) by displacement of 3H-QNB | B | 5.24 | pKi | 5754.4 | nM | Ki | A SARS-CoV-2 protein interaction map reveals targets for drug repurposing |
M5 receptor/Muscarinic acetylcholine receptor M5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2035] [GtoPdb: 17] [UniProtKB: P08912] | ||||||||
ChEMBL | Activity of compound against Muscarinic acetylcholine receptor M5 (CHRM5) by displacement of 3H-QNB | B | 4.66 | pKi | 21877.62 | nM | Ki | A SARS-CoV-2 protein interaction map reveals targets for drug repurposing |
Plasmodium berghei (target type: ORGANISM) [ChEMBL: CHEMBL612653] | ||||||||
ChEMBL | Antimalarial activity against luciferase-expressing Plasmodium berghei ANKA 676m1cl1 sporozoites infected in human HepG2A16 cells measured after 45 hrs by luciferase-luciferin based reporter assay | F | 4.5 | pIC50 | >31262 | nM | IC50 | J Med Chem (2019) 62: 3475-3502 [PMID:30852885] |
ChEMBL | Antiplasmodial activity against Plasmodium berghei liver stage form transfected in human Huh-7 cells assessed as cell viability after 48 hrs by luciferase reporter gene assay | F | 4.8 | pIC50 | 15900 | nM | IC50 | J. Med. Chem. (2013) 56: 556-567 [PMID:23273038] |
ChEMBL | Antiplasmodial activity against liver stage of Plasmodium berghei expressing GFP-Luc infected in HuH7 cells incubated at 1 hr prior to infection followed by compound replenisment at 24 hrs post-infection measured after 48 hrs by Alamar blue assay | F | 4.82 | pIC50 | >15000 | nM | IC50 | Bioorg. Med. Chem. Lett. (2013) 23: 610-613 [PMID:23290049] |
ChEMBL | Antimalarial activity against exo-erythrocytic form of Plasmodium berghei infected in human HepG2 cells after 48 hrs | F | 5 | pIC50 | >10000 | nM | IC50 | Eur. J. Med. Chem. (2014) 82: 204-213 [PMID:24904967] |
ChEMBL | Antimalarial activity against sporozoite stage of Plasmodium berghei yoelii infected in human HepG2 cells | F | 5.05 | pIC50 | 9000 | nM | IC50 | J. Med. Chem. (2016) 59: 264-281 [PMID:26640981] |
ChEMBL | Antimalarial activity against schizonts of chloroquine-sensitive Plasmodium berghei ANKA 2.34 after 16 hrs | F | 7.22 | pIC50 | 60 | nM | IC50 | Bioorg. Med. Chem. Lett. (2012) 22: 7048-7051 [PMID:23084276] |
ChEMBL | Antimicrobial activity against Plasmodium berghei sporozoites infected in 12 hrs compound pretreated human HepG2 cells assessed as reduction in viability of exoerythrocytic forms measured after 48 hrs of incubation by luciferase bioluminescence assay | F | 5 | pEC50 | >10000 | nM | EC50 | J. Med. Chem. (2014) 57: 2773-2788 [PMID:24641010] |
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
ChEMBL | Inhibition of hematin polymerization in Plasmodium falciparum | F | 4.1 | pIC50 | 80000 | nM | IC50 | J. Med. Chem. (1998) 41: 4360-4364 [PMID:9784111] |
ChEMBL | Gametocytocidal activity against synchronous stage 4 to 5 of transgenic Plasmodium falciparum NF54 gametocyte harboring pfs16 promoter assessed as parasite viability after 72 hrs by MitoTracker Red CMXRos-based assay | F | 4.22 | pIC50 | 60000 | nM | IC50 | J. Med. Chem. (2013) 56: 6200-6215 [PMID:23837878] |
ChEMBL | Inhibition of hydrogen peroxide-mediated haem detoxification in Plasmodium falciparum | F | 4.43 | pIC50 | 37000 | nM | IC50 | Bioorg. Med. Chem. Lett. (2001) 11: 2075-2077 [PMID:11514142] |
ChEMBL | Antimalarial activity after 72 hrs against chloroquine-sensitive Plasmodium falciparum D6 infected in erythrocytes by LDH assay | F | 4.53 | pIC50 | 29700 | nM | IC50 | Bioorg. Med. Chem. (2009) 17: 741-751 [PMID:19084416] |
ChEMBL | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 infected in erythrocytes after 96 hrs by [3H]hypoxanthine incorporation assay | F | 4.68 | pIC50 | 21000 | nM | IC50 | J. Med. Chem. (2009) 52: 7954-7957 [PMID:19908867] |
ChEMBL | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 infected in erythrocytes after 48 hrs by [3H]hypoxanthine incorporation assay | F | 4.72 | pIC50 | 19000 | nM | IC50 | J. Med. Chem. (2009) 52: 7954-7957 [PMID:19908867] |
ChEMBL | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54 by lactate dehydrogenase assay | F | 4.79 | pIC50 | 16300 | nM | IC50 | J Nat Prod (2018) 81: 41-48 [PMID:29309141] |
ChEMBL | Antimalarial activity against Plasmodium falciparum 3D7 infected in human O positive erythrocytes assessed as reduction of parasite growth after 24 to 44 hrs by Giemsa staining | F | 4.82 | pIC50 | 15000 | nM | IC50 | Eur. J. Med. Chem. (2013) 67: 158-165 [PMID:23851117] |
ChEMBL | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K14 infected in human red blood cells after 48 hrs by [3H]hypoxanthine incorporation assay | F | 4.96 | pIC50 | 11000 | nM | IC50 | Eur. J. Med. Chem. (2014) 87: 364-371 [PMID:25282260] |
ChEMBL | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 gametocytes (stage 4 & 5) | F | 4.97 | pIC50 | 10700 | nM | IC50 | Antimicrob. Agents Chemother. (2007) 51: 1463-1472 [PMID:17242150] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by 1536-well format based SYBR green assay | F | 5 | pIC50 | 10000 | nM | IC50 | Nat. Chem. Biol. (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay | F | 5.26 | pIC50 | 5500 | nM | IC50 | Eur. J. Med. Chem. (2013) 60: 497-502 [PMID:23354072] |
ChEMBL | In vitro inhibitory activity against Plasmodium falciparum | F | 5.52 | pIC50 | 3000 | nM | IC50 | Bioorg. Med. Chem. Lett. (2001) 11: 1851-1854 [PMID:11459645] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by 1536-well format based SYBR green assay | F | 5.7 | pIC50 | 2000 | nM | IC50 | Nat. Chem. Biol. (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against chloroquine and pyrimethamine resistant Plasmodium falciparum K1 assessed as reduction in [3H]-hypoxanthine incorporation incubated for 48 hrs by liquid scintillation counting method | F | 5.74 | pIC50 | 1828 | nM | IC50 | Eur J Med Chem (2017) 140: 595-603 [PMID:28988153] |
ChEMBL | Displacement of chloroquine from Fe(3+) FPIX-loaded membrane | F | 5.75 | pIC50 | 1760 | nM | IC50 | J. Med. Chem. (2002) 45: 4975-4983 [PMID:12408708] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by 1536-well format based SYBR green assay | F | 5.8 | pIC50 | 1600 | nM | IC50 | Nat. Chem. Biol. (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by 1536-well format based SYBR green assay | F | 5.8 | pIC50 | 1600 | nM | IC50 | Nat. Chem. Biol. (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antimalarial activity against Plasmodium falciparum infected in human O+ erythrocytes after 48 hrs by HRP2-ELISA method | F | 5.99 | pIC50 | 1030 | nM | IC50 | Bioorg. Med. Chem. (2010) 18: 5626-5633 [PMID:20621497] |
ChEMBL | Antimicrobial activity against Plasmodium falciparum | F | 6 | pIC50 | 1000 | nM | IC50 | Bioorg. Med. Chem. (2010) 18: 2225-2231 [PMID:20185316] |
ChEMBL | Antimalarial activity against chloroquine and pyrimethamine-resistant Plasmodium falciparum V1/S assessed as inhibition of parasite growth | F | 6 | pIC50 | >1000 | nM | IC50 | J. Med. Chem. (2015) 58: 4573-4580 [PMID:25906200] |
ChEMBL | Antimalarial activity against chloroquine and pyrimethamine-resistant Plasmodium falciparum W2 assessed as inhibition of parasite growth | F | 6 | pIC50 | >1000 | nM | IC50 | J. Med. Chem. (2015) 58: 4573-4580 [PMID:25906200] |
ChEMBL | Antimalarial activity against Plasmodium falciparum V1/S infected in human erythrocytes assessed as reduction in [3H]-hypoxanthine incorporation preincubated for 24 hrs followed by [3H]-hypoxanthine addition measured after 24 hrs by scintillation counting method | F | 6 | pIC50 | >1000 | nM | IC50 | J Med Chem (2017) 60: 5889-5908 [PMID:28635296] |
ChEMBL | Antimalarial activity against chloroquine, pyrimethamine, and mefloquine-resistant Plasmodium falciparum Dd2 infected in human O positive red blood cells assessed as inhibition of [3H]-hypoxanthine uptake after 48 hrs | F | 6.01 | pIC50 | 980 | nM | IC50 | J. Nat. Prod. (2011) 74: 74-78 [PMID:21155593] |
ChEMBL | Inhibition of chloroquine uptake from intact parasites | F | 6.02 | pIC50 | 950 | nM | IC50 | J. Med. Chem. (2002) 45: 4975-4983 [PMID:12408708] |
ChEMBL | In vitro inhibitory activity against multidrug-resistant Plasmodium falciparum W2 Indochina | F | 6.05 | pIC50 | 900 | nM | IC50 | J. Med. Chem. (2002) 45: 3195-3209 [PMID:12109904] |
ChEMBL | Antiplasmodial activity against chloroquine-susceptible Plasmodium falciparum FCM29 infected in human erythrocytes assessed as inhibition of [3H]hypoxanthine uptake after 48 hrs | F | 6.06 | pIC50 | 879 | nM | IC50 | J. Med. Chem. (2010) 53: 3214-3226 [PMID:20329733] |
ChEMBL | Antimalarial activity against chloroquine, pyrimethamine and cycloguanil-resistant Plasmodium falciparum VS1 after 24 hrs | F |