quinidine [Ligand Id: 2342] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL1294 ((8r,9s)-quinidine, .beta.-quinidine, Conquinine, Kinidin, Pitayine, Quinidine) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| butyrylcholinesterase/Butyrylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1914] [GtoPdb: 2471] [UniProtKB: P06276] | ||||||||
| ChEMBL | Inhibition of human BChE by Ellman's method | B | 5.91 | pIC50 | 1230 | nM | IC50 | Bioorg Med Chem (2012) 20: 6669-6679 [PMID:23062825] |
| Cholinesterase in Equus caballus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5763] [UniProtKB: P81908] | ||||||||
| ChEMBL | Inhibition of horse BChE by Ellman's method | B | 5.13 | pIC50 | 7370 | nM | IC50 | Bioorg Med Chem (2012) 20: 6669-6679 [PMID:23062825] |
| CYP2D6/Cytochrome P450 2D6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL289] [GtoPdb: 1329] [UniProtKB: P10635] | ||||||||
| ChEMBL | Inhibition of human recombinant CYP2D6 | B | 8.09 | pIC50 | 8.1 | nM | IC50 | J Med Chem (2019) 62: 2750-2771 [PMID:30721053] |
| Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
| ChEMBL | Inhibition of human ERG expressed in CHO cells by patch plate method | B | 5.57 | pIC50 | 2670 | nM | IC50 | J Med Chem (2016) 59: 264-281 [PMID:26640981] |
| ChEMBL | Inhibition Assay: Briefly, the experiments were performed on an IonWorks™ HT instrument (Molecular Devices Corporation), which automatically performs electrophysiology measurements in 48 single cells simultaneously in a specialised 384-well plate (PatchPlate™). The cells used were Chinese hamster ovary (CHO) cells stably transfected with hERG. A single-cell suspension is prepared in extracellular solution (Dulbecco's phosphate buffered saline with calcium and magnesium pH 7-7.2) and aliquots added automatically to each well of a PatchPlate™. The cells were then positioned over a small hole at the bottom of each well by applying a vacuum beneath the plate to form an electrical seal. The vacuum was applied through a single compartment common to all wells which is filled with intracellular solution (buffered to pH 7.2 with HEPES). The resistance of each seal was measured via a common ground-electrode in the intracellular compartment and individual electrodes placed into each of the upper wells. Electrical access to the cell was achieved by circulating a perforating agent, amphotericin, underneath the PatchPlate™ and then measuring the pre-compound hERG current. An electrode was positioned in the extracellular compartment and a holding potential of −80 mV applied for 15 sec. The hERG channels were then activated by applying a depolarising step to +40 mV for 5 sec and then clamped at −50 mV for 4 sec to elicit the hERG tail current, before returning to −80 mV for 0.3 s. The test compound was then added at various concentrations (0.008, 0.04, 0.2, 1, 5 and 25 μM) to the upper wells of the PatchPlate™. The test compound was left in contact with the cells for 300 sec before recording currents using the same voltage-step protocol as in the pre-compound scan. Quinidine, an established hERG inhibitor, was included as a positive control. | B | 5.84 | pIC50 | 1440 | nM | IC50 | US-9402878-B2. Depsipeptide and uses thereof (2016) |
| ChEMBL | Inhibition of human Potassium channel HERG expressed in mammalian cells | B | 6.49 | pIC50 | 323.59 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 2773-2775 [PMID:12873512] |
| ChEMBL | Inhibitory concentration against potassium channel HERG | B | 6.49 | pIC50 | 323.59 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 2886-2890 [PMID:15911273] |
| ChEMBL | Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique | B | 6.49 | pIC50 | 323.59 | nM | IC50 | Bioorg Med Chem (2008) 16: 6252-6260 [PMID:18448342] |
| ChEMBL | Inhibition of hERG K channel | F | 6.52 | pIC50 | 300 | nM | IC50 | Cardiovasc Res (2011) 91: 53-61 [PMID:21300721] |
| Multidrug and toxin extrusion/Multidrug and toxin extrusion protein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743126] [GtoPdb: 1216] [UniProtKB: Q96FL8] | ||||||||
| ChEMBL | Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay | B | 4.95 | pIC50 | 11200 | nM | IC50 | J Med Chem (2013) 56: 781-795 [PMID:23241029] |
| ABCB1/P-glycoprotein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) in MDR1-expressing MDCK cells | F | 5.07 | pKi | 8590 | nM | Ki | Pharm Res (2002) 19: 765-772 [PMID:12134945] |
| ChEMBL | Concentration giving half of the maximal ATPase activity calculated for the high-affinity binding site of the CHO P-Glycoprotein (P-gp) in two-affinity model | B | 5.3 | pKi | 5000 | nM | Ki | J Med Chem (2002) 45: 5671-5686 [PMID:12477351] |
| ChEMBL | High affinity constant at binding site of human P-Glycoprotein (P-gp) in two-affinity model | B | 5.59 | pKi | 2600 | nM | Ki | J Med Chem (2002) 45: 5671-5686 [PMID:12477351] |
| ChEMBL | TP_TRANSPORTER: inhibition of Taxol transepithelial transport (basal to apical) in Caco-2 cells | F | 5.82 | pKi | 1500 | nM | Ki | Pharm Res (2001) 18: 171-176 [PMID:11405287] |
| ChEMBL | TP_TRANSPORTER: transepithelial transport of digoxin (basal to apical) in Caco-2 cells | F | 6.37 | pKi | 430 | nM | Ki | Pharm Res (2003) 20: 161-168 [PMID:12636153] |
| ChEMBL | TP_TRANSPORTER: inhibition of Rhodamine 123 efflux in NIH-3T3-G185 cells | F | 4.47 | pIC50 | 33900 | nM | IC50 | Biochem Biophys Res Commun (2001) 289: 580-585 [PMID:11716514] |
| ChEMBL | TP_TRANSPORTER: cell accumulation of calcein in L-MDR1 cells | F | 4.47 | pIC50 | 33800 | nM | IC50 | J Pharmacol Exp Ther (2003) 305: 197-204 [PMID:12649369] |
| ChEMBL | TP_TRANSPORTER: inhibition of Daunorubicin efflux in NIH-3T3-G185 cells | F | 4.73 | pIC50 | 18800 | nM | IC50 | Biochem Biophys Res Commun (2001) 289: 580-585 [PMID:11716514] |
| ChEMBL | TP_TRANSPORTER: inhibition of Calcein-AM efflux in MDR1-expressing LLC-PK1 cells | F | 5.25 | pIC50 | 5600 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
| ChEMBL | Inhibition of P-glycoprotein, human L-MDR1 expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay | F | 5.25 | pIC50 | 5600 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
| ChEMBL | TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cells | F | 5.66 | pIC50 | 2200 | nM | IC50 | Drug Metab Dispos (2000) 28: 655-660 [PMID:10820137] |
| ChEMBL | Inhibition of P-glycoprotein using calcein-AM assay transfected in porcine PBCEC | F | 5.66 | pIC50 | 2200 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
| ChEMBL | TP_TRANSPORTER: inhibition of LDS-751 efflux in NIH-3T3-G185 cells | F | 6 | pIC50 | 1000 | nM | IC50 | Biochem Biophys Res Commun (2001) 289: 580-585 [PMID:11716514] |
| P-glycoprotein 1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3467] [UniProtKB: P06795] | ||||||||
| ChEMBL | Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay | F | 5 | pIC50 | 10000 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
| ChEMBL | TP_TRANSPORTER: inhibition of Calcein-AM efflux in Mdr1b-expressing LLC-PK1 cells | F | 5 | pIC50 | 10000 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
| ABCB1/P-glycoprotein 3 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2573] [GtoPdb: 768] [UniProtKB: P21447] | ||||||||
| ChEMBL | Inhibition of P-glycoprotein, mouse L-mdr1a expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay | F | 4.89 | pIC50 | 13000 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
| ChEMBL | TP_TRANSPORTER: inhibition of Calcein-AM efflux in Mdr1a-expressing LLC-PK1 cells | F | 4.89 | pIC50 | 13000 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | Antimicrobial activity against Plasmodium falciparum | F | 4.62 | pIC50 | 24000 | nM | IC50 | Bioorg Med Chem (2010) 18: 2225-2231 [PMID:20185316] |
| ChEMBL | In vitro antimalarial activity against Plasmodium falciparum W2 in human erythrocytes by [3H]hypoxanthine uptake | F | 6.8 | pIC50 | 160 | nM | IC50 | Bioorg Med Chem Lett (2002) 12: 1351-1355 [PMID:11992775] |
| ChEMBL | Antimalarial activity against chloroquine resistant Plasmodium falciparum Dd2 after 72 hrs by SYBP Green I dye staining | F | 7.05 | pIC50 | 90 | nM | IC50 | Bioorg Med Chem (2012) 20: 3292-3297 [PMID:22512909] |
| ChEMBL | Antimalarial activity against chloroquine sensitive Plasmodium falciparum HB3 after 72 hrs by SYBP Green I dye staining | F | 7.74 | pIC50 | 18 | nM | IC50 | Bioorg Med Chem (2012) 20: 3292-3297 [PMID:22512909] |
| ChEMBL | In vitro inhibition of parasite development of Plasmodium falciparum W2 in human erythrocytes | F | 8.4 | pIC50 | 4 | nM | IC50 | Bioorg Med Chem Lett (2002) 12: 1351-1355 [PMID:11992775] |
| ChEMBL | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay | F | 7.45 | pEC50 | 35.2 | nM | EC50 | Proc Natl Acad Sci U S A (2008) 105: 9059-9064 [PMID:18579783] |
| ChEMBL | NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay | F | 8.02 | pEC50 | 9.59 | nM | EC50 | Proc Natl Acad Sci U S A (2008) 105: 9059-9064 [PMID:18579783] |
| Plasmodium falciparum 3D7 (target type: ORGANISM) [ChEMBL: CHEMBL2366922] | ||||||||
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum 3D7 assessed as reduction in parasite viability by parasite lactate dehydrogenase assay | F | 6.71 | pIC50 | 194.4 | nM | IC50 | Eur J Med Chem (2015) 100: 10-17 [PMID:26063305] |
| ChEMBL | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 assessed as incorporation of [3H]hypoxanthine after 48 hr microdilution method | F | 7.68 | pIC50 | 21 | nM | IC50 | Med Chem Res (2007) 16: 213-229 |
| Plasmodium falciparum (isolate K1 / Thailand) in Plasmodium falciparum K1 (target type: ORGANISM) [ChEMBL: CHEMBL612856] | ||||||||
| ChEMBL | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 after 48 hrs by [G-3H]hypoxanthine uptake | F | 7.29 | pIC50 | 51 | nM | IC50 | Eur J Med Chem (2008) 43: 2840-2852 [PMID:18395298] |
| ChEMBL | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 assessed as incorporation of [3H]hypoxanthine after 48 hr microdilution method | F | 7.29 | pIC50 | 51 | nM | IC50 | Med Chem Res (2007) 16: 213-229 |
| Kv4.2/Potassium voltage-gated channel subfamily D member 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075227] [GtoPdb: 553] [UniProtKB: Q63881] | ||||||||
| GtoPdb | - | - | 4.9 | pIC50 | - | - | - | Br J Pharmacol (2003) 138: 1475-84 [PMID:12721103] |
| ChEMBL | Inhibition of rat potassium channel Kv4.2 by patch-clamp method | B | 5.66 | pIC50 | 2200 | nM | IC50 | J Med Chem (2007) 50: 2818-2841 [PMID:17506538] |
| Nav1.5/Sodium channel protein type V alpha subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1980] [GtoPdb: 582] [UniProtKB: Q14524] | ||||||||
| ChEMBL | Inhibition of sodium current measured using whole-cell patch clamp experiments in HEK-293 cells stably transfected with hNaV1.5 cDNA | F | 4.78 | pIC50 | 16600 | nM | IC50 | Cardiovasc Res (2011) 91: 53-61 [PMID:21300721] |
| ChEMBL | Inhibition of human heart sodium channel Nav1.5 by patch-clamp method | B | 5.16 | pIC50 | 6900 | nM | IC50 | J Med Chem (2007) 50: 2818-2841 [PMID:17506538] |
| Nav1.5 in Rat [GtoPdb: 582] [UniProtKB: P15389] | ||||||||
| GtoPdb | - | - | 5 | pIC50 | - | - | - |
Mol Pharmacol (1989) 36: 150-9 [PMID:2546048]; J Pharmacol Exp Ther (1994) 268: 187-94 [PMID:8301556] |
| Organic cation transporter 1/Solute carrier family 22 member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5685] [GtoPdb: 1019] [UniProtKB: O15245] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing HeLa cells | F | 4.76 | pKi | 17500 | nM | Ki | J Pharmacol Exp Ther (1998) 286: 354-361 [PMID:9655880] |
| ChEMBL | TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in OCT1-expressing HeLa cells | F | 4.63 | pIC50 | 23400 | nM | IC50 | J Pharmacol Exp Ther (1999) 288: 1192-1198 [PMID:10027858] |
| Organic cation transporter 1/Solute carrier family 22 member 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073670] [GtoPdb: 1019] [UniProtKB: Q63089] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of TEA uptake (basolateral to cell) in OCT1-expressing MDCK cells | F | 4.84 | pKi | 14600 | nM | Ki | J Pharmacol Exp Ther (1998) 287: 800-805 [PMID:9808712] |
| ChEMBL | TP_TRANSPORTER: inhibition of MPP+ uptake in OCT1-expressing HEK293 cells | F | 5.22 | pKi | 6000 | nM | Ki | Naunyn Schmiedebergs Arch Pharmacol (1996) 354: 320-326 [PMID:8878062] |
| ChEMBL | TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes | F | 4.9 | pIC50 | 12700 | nM | IC50 | Am J Physiol Renal Physiol (2001) 281: F454-F468 [PMID:11502595] |
| Organic cation transporter 2/Solute carrier family 22 member 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1770032] [GtoPdb: 1020] [UniProtKB: Q9R0W2] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of TEA uptake (basolateral to cell) in OCT2-expressing MDCK cells | F | 4.72 | pKi | 19100 | nM | Ki | J Pharmacol Exp Ther (1998) 287: 800-805 [PMID:9808712] |
| ChEMBL | TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes | F | 4.84 | pIC50 | 14600 | nM | IC50 | Am J Physiol Renal Physiol (2001) 281: F454-F468 [PMID:11502595] |
| Solute carrier organic anion transporter family member 1A1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1781859] [UniProtKB: P46720] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing LLC-PK1 cells | F | 5.03 | pKi | 9270 | nM | Ki | Pharm Res (2002) 19: 147-153 [PMID:11883641] |
| Voltage-dependent L-type calcium channel subunit alpha-1C in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2366456] [UniProtKB: O35505] | ||||||||
| ChEMBL | Inhibition of calcium current (ICaL) measured using whole-cell patch clamp experiments in isolated guinea pig ventricular myocytes | F | 4.81 | pIC50 | 15600 | nM | IC50 | Cardiovasc Res (2011) 91: 53-61 [PMID:21300721] |
| ChEMBL | Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes | F | 4.81 | pIC50 | 15600 | nM | IC50 | J Appl Toxicol (2012) 32: 858-866 [PMID:22761000] |
| Cav1.2/Voltage-gated L-type calcium channel alpha-1C subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1940] [GtoPdb: 529] [UniProtKB: Q13936] | ||||||||
| ChEMBL | Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit | F | 4.7 | pIC50 | 19820 | nM | IC50 | J Appl Toxicol (2012) 32: 858-866 [PMID:22761000] |
| Cav1.2/Voltage-gated L-type calcium channel alpha-1C subunit in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3762] [GtoPdb: 529] [UniProtKB: P22002] | ||||||||
| ChEMBL | Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes | F | 5 | pIC50 | 10000 | nM | IC50 | J Appl Toxicol (2012) 32: 858-866 [PMID:22761000] |
| ChEMBL | Inhibition of Cav1.2 calcium current measured using whole cell patch clamp in rat ventricular myocytes | F | 5.25 | pIC50 | 5600 | nM | IC50 | IC50 data for the L-type calcium channel extracted from a set of literature articles |
| Kv1.5/Voltage-gated potassium channel subunit Kv1.5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4306] [GtoPdb: 542] [UniProtKB: P22460] | ||||||||
| GtoPdb | - | - | 5.2 | pKd | - | - | - | Mol Pharmacol (1992) 41: 322-30 [PMID:1538710] |
| ChEMBL | Inhibition of human potassium channel Kv1.5 by patch-clamp method | B | 5.14 | pIC50 | 7300 | nM | IC50 | J Med Chem (2007) 50: 2818-2841 [PMID:17506538] |
| KNa1.1 in Rat [GtoPdb: 385] [UniProtKB: Q9Z258] | ||||||||
| GtoPdb | - | - | 4 | pIC50 | - | - | - |
Neuropharmacology (2006) 51: 896-906 [PMID:16876206]; J Neurosci (2003) 23: 11681-91 [PMID:14684870] |
| Kv1.4 in Rat [GtoPdb: 541] [UniProtKB: P15385] | ||||||||
| GtoPdb | - | - | 3.7 | pIC50 | - | - | - | Eur J Pharmacol (1995) 281: 151-9 [PMID:7589202] |
| Kv1.7 in Human [GtoPdb: 544] [UniProtKB: Q96RP8] | ||||||||
| GtoPdb | - | - | 4.8 | pKd | - | - | - | Eur J Hum Genet (2002) 10: 36-43 [PMID:11896454] |
| Kv10.1 in Human [GtoPdb: 570] [UniProtKB: O95259] | ||||||||
| GtoPdb | - | - | 5.8 | pIC50 | - | - | - | FEBS Lett (2002) 514: 204-8 [PMID:11943152] |
| Kv10.2 in Human [GtoPdb: 571] [UniProtKB: Q8NCM2] | ||||||||
| GtoPdb | - | - | 3.8 | pIC50 | - | - | - | Mol Pharmacol (2004) 65: 1120-9 [PMID:15102940] |
| Plasma membrane monoamine transporter in Human [GtoPdb: 1120] [UniProtKB: Q7RTT9] | ||||||||
| GtoPdb | - | - | 4.6 | pKi | 25300 | nM | Ki |
Mol Pharmacol (2005) 68: 1397-407 [PMID:16099839]; Clin Pharmacol Ther (2016) 100: 489-499 [PMID:27506881] |
ChEMBL data shown on this page come from version 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]
