mepacrine [Ligand Id: 10172] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL7568 (Atabrine, GNF-Pf-5448, Mepacrina, Mepacrine, Quinacrine)
  • acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303]
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  • α1B-adrenoceptor/Alpha-1b adrenergic receptor in Rat [ChEMBL: CHEMBL315] [GtoPdb: 23] [UniProtKB: P15823]
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  • α1D-adrenoceptor/Alpha-1d adrenergic receptor in Human [ChEMBL: CHEMBL223] [GtoPdb: 24] [UniProtKB: P25100]
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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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  • α2C-adrenoceptor/Alpha-2c adrenergic receptor in Human [ChEMBL: CHEMBL1916] [GtoPdb: 27] [UniProtKB: P18825]
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  • D3 receptor/Dopamine D3 receptor in Human [ChEMBL: CHEMBL234] [GtoPdb: 216] [UniProtKB: P35462]
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  • H2 receptor/Histamine H2 receptor in Human [ChEMBL: CHEMBL1941] [GtoPdb: 263] [UniProtKB: P25021]
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  • M1 receptor/Muscarinic acetylcholine receptor M1 in Human [ChEMBL: CHEMBL216] [GtoPdb: 13] [UniProtKB: P11229]
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  • M2 receptor/Muscarinic acetylcholine receptor M2 in Human [ChEMBL: CHEMBL211] [GtoPdb: 14] [UniProtKB: P08172]
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  • M3 receptor/Muscarinic acetylcholine receptor M3 in Human [ChEMBL: CHEMBL245] [GtoPdb: 15] [UniProtKB: P20309]
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  • M4 receptor/Muscarinic acetylcholine receptor M4 in Human [ChEMBL: CHEMBL1821] [GtoPdb: 16] [UniProtKB: P08173]
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  • M5 receptor/Muscarinic acetylcholine receptor M5 in Human [ChEMBL: CHEMBL2035] [GtoPdb: 17] [UniProtKB: P08912]
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  • NET/Norepinephrine transporter in Human [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975]
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  • 5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Human [ChEMBL: CHEMBL224] [GtoPdb: 6] [UniProtKB: P28223]
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  • Trypanothione reductase in Leishmania infantum [ChEMBL: CHEMBL1944501] [UniProtKB: A4HSF7]
  • Trypanothione reductase in Trypanosoma cruzi [ChEMBL: CHEMBL5131] [UniProtKB: P28593]
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  • Voltage-dependent L-type calcium channel subunit alpha-1C in Guinea pig [ChEMBL: CHEMBL2366456] [UniProtKB: O35505]
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  • Cav1.2/Voltage-gated L-type calcium channel alpha-1C subunit in Rat [ChEMBL: CHEMBL3762] [GtoPdb: 529] [UniProtKB: P22002]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303]
ChEMBL DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine) B 5.57 pIC50 2667 nM IC50 DrugMatrix in vitro pharmacology data
α1B-adrenoceptor/Alpha-1b adrenergic receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL315] [GtoPdb: 23] [UniProtKB: P15823]
ChEMBL DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin) B 5.72 pKi 1890 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin) B 5.47 pIC50 3414 nM IC50 DrugMatrix in vitro pharmacology data
α1D-adrenoceptor/Alpha-1d adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL223] [GtoPdb: 24] [UniProtKB: P25100]
ChEMBL DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin) B 5.99 pKi 1015 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin) B 5.69 pIC50 2065 nM IC50 DrugMatrix in vitro pharmacology data
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 6.07 pKi 855 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912) B 5.64 pIC50 2280 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 6.08 pKi 833 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine) B 5.74 pIC50 1825 nM IC50 DrugMatrix in vitro pharmacology data
α2C-adrenoceptor/Alpha-2c adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1916] [GtoPdb: 27] [UniProtKB: P18825]
ChEMBL DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912) B 6.25 pKi 560 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912) B 5.41 pIC50 3857 nM IC50 DrugMatrix in vitro pharmacology data
Bacterial DNA-directed RNA polymerase in Bacteria (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2364672] [UniProtKB: P0A7Z4, P0A800, P0A8T7, P0A8V2]
ChEMBL Inhibition of Escherichia coli DNA-primed RNA polymerase activity using [8-14C]ATP by scintillation counting B 4.7 pIC50 20000 nM IC50 J Med Chem (1976) 19: 994-998 [PMID:184284]
Cholinesterase in Equus caballus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5763] [UniProtKB: P81908]
ChEMBL Inhibition of Equine serum BChE using butyrylthiocholine iodide as a substrate after 20 mins by Ellman's assay B 5.35 pIC50 4500 nM IC50 Eur J Med Chem (2011) 46: 2170-2184 [PMID:21459491]
Cyclic GMP-AMP synthase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105728] [GtoPdb: 3165] [UniProtKB: Q8N884]
ChEMBL Inhibition of cGAS (unknown origin) incubated for 1 hr by Typhoon imaging system analysis B 5.15 pIC50 7000 nM IC50 Eur J Med Chem (2022) 238: 114480-114480 [PMID:35635952]
ChEMBL Inhibition of cGAS in human THP-1 cells B 5.15 pIC50 7000 nM IC50 Eur J Med Chem (2022) 238: 114480-114480 [PMID:35635952]
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 6.35 pKi 448 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone) B 5.88 pIC50 1318 nM IC50 DrugMatrix in vitro pharmacology data
H2 receptor/Histamine H2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1941] [GtoPdb: 263] [UniProtKB: P25021]
ChEMBL DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine) B 5.46 pKi 3476 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine) B 5.45 pIC50 3535 nM IC50 DrugMatrix in vitro pharmacology data
M1 receptor/Muscarinic acetylcholine receptor M1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL216] [GtoPdb: 13] [UniProtKB: P11229]
ChEMBL DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine) B 6.44 pKi 359 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine) B 5.83 pIC50 1489 nM IC50 DrugMatrix in vitro pharmacology data
M2 receptor/Muscarinic acetylcholine receptor M2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL211] [GtoPdb: 14] [UniProtKB: P08172]
ChEMBL DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine) B 6.46 pKi 343 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine) B 6.02 pIC50 964 nM IC50 DrugMatrix in vitro pharmacology data
M3 receptor/Muscarinic acetylcholine receptor M3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL245] [GtoPdb: 15] [UniProtKB: P20309]
ChEMBL DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine) B 6.58 pKi 266 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine) B 5.9 pIC50 1255 nM IC50 DrugMatrix in vitro pharmacology data
M4 receptor/Muscarinic acetylcholine receptor M4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1821] [GtoPdb: 16] [UniProtKB: P08173]
ChEMBL DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine) B 6.56 pKi 277 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine) B 5.7 pIC50 1983 nM IC50 DrugMatrix in vitro pharmacology data
M5 receptor/Muscarinic acetylcholine receptor M5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2035] [GtoPdb: 17] [UniProtKB: P08912]
ChEMBL DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine) B 5.57 pKi 2684 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine) B 5.43 pIC50 3736 nM IC50 DrugMatrix in vitro pharmacology data
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 5.54 pKi 2872 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55) B 5.54 pIC50 2896 nM IC50 DrugMatrix in vitro pharmacology data
ABCB1/P-glycoprotein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183]
ChEMBL TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation (Calcein-AM: 0.25 uM) in MDR-CEM cells F 4.84 pEC50 14400 nM EC50 Anticancer Drugs (1996) 7: 568-578 [PMID:8862725]
Phospholipase A2 group 1B in Pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4715] [UniProtKB: P00592]
ChEMBL Tested for its inhibitory activity against Phospholipase A2 (PLA2) B 4 pIC50 100000 nM IC50 Bioorg Med Chem Lett (1993) 3: 2087-2092
sPLA2-1B/Phospholipase A2 group 1B in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5016] [GtoPdb: 1416] [UniProtKB: P04055]
ChEMBL Inhibitory activity against polymorphonuclear cell phospholipase-A2 in rat B 4 pIC50 100000 nM IC50 Bioorg Med Chem Lett (1993) 3: 711-716
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Antimicrobial activity against Plasmodium falciparum F 4.39 pIC50 41000 nM IC50 Bioorg Med Chem (2010) 18: 2225-2231 [PMID:20185316]
ChEMBL Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 after 48 hrs by [G-3H]hypoxanthine uptake F 7.37 pIC50 43 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 7.37 pIC50 43 nM IC50 Med Chem Res (2007) 16: 213-229
ChEMBL Antimalarial activity against multidrug-resistant Plasmodium falciparum Dd2 infected in human erythrocytes by SYBR green 1-based fluorescence assay F 7.54 pIC50 29 nM IC50 J Med Chem (2019) 62: 3475-3502 [PMID:30852885]
ChEMBL Antimalarial activity against drug-resistant Plasmodium falciparum Dd2 harboring M133I/A138T double mutant infected in human erythrocytes after 72 hrs by SYBR green 1-based fluorescence assay F 7.54 pIC50 29 nM IC50 J Med Chem (2019) 62: 3475-3502 [PMID:30852885]
ChEMBL Antimalarial activity against drug-resistant Plasmodium falciparum Dd2 harboring M133I mutant infected in human erythrocytes after 72 hrs by SYBR green 1-based fluorescence assay F 7.64 pIC50 23 nM IC50 J Med Chem (2019) 62: 3475-3502 [PMID:30852885]
ChEMBL Antimalarial activity against drug-resistant Plasmodium falciparum Dd2 harboring V259L mutant infected in human erythrocytes after 72 hrs by SYBR green 1-based fluorescence assay F 7.74 pIC50 18 nM IC50 J Med Chem (2019) 62: 3475-3502 [PMID:30852885]
ChEMBL Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 assessed as incorporation of [3H]hypoxanthine after 48 hr microdilution method F 7.89 pIC50 13 nM IC50 Med Chem Res (2007) 16: 213-229
ChEMBL Antimicrobial activity against chloroquine-resistant Plasmodium falciparum W2 after 72 hrs F 7.48 pEC50 33 nM EC50 Antimicrob Agents Chemother (2007) 51: 2164-2172 [PMID:17371810]
ChEMBL Antimalarial activity against blood stage Plasmodium falciparum 3D7 assessed as reduction in parasite growth incubated for 72 hrs by SYBR Green dye based fluorescence assay F 7.48 pEC50 33 nM EC50 Eur J Med Chem (2023) 249: 115043-115043 [PMID:36736152]
ChEMBL Effective concentration against Plasmodium falciparum W2 F 7.49 pEC50 32 nM EC50 Bioorg Med Chem Lett (2005) 15: 1015-1018 [PMID:15686903]
ChEMBL NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay F 7.85 pEC50 14.22 nM EC50 Proc Natl Acad Sci U S A (2008) 105: 9059-9064 [PMID:18579783]
ChEMBL Antimicrobial activity against chloroquine-sensitive Plasmodium falciparum 3D7 after 72 hrs F 7.96 pEC50 11 nM EC50 Antimicrob Agents Chemother (2007) 51: 2164-2172 [PMID:17371810]
ChEMBL NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay F 8.09 pEC50 8.13 nM EC50 Proc Natl Acad Sci U S A (2008) 105: 9059-9064 [PMID:18579783]
ChEMBL Effective concentration for Plasmodium falciparum 3D7 F 8.1 pEC50 8 nM EC50 Bioorg Med Chem Lett (2005) 15: 1015-1018 [PMID:15686903]
ChEMBL Effective concentration against Plasmodium falciparum W2 F 8.1 pEC50 8 nM EC50 Bioorg Med Chem Lett (2005) 15: 1015-1018 [PMID:15686903]
ChEMBL Effective concentration for Plasmodium falciparum 3D7 F 8.3 pEC50 5 nM EC50 Bioorg Med Chem Lett (2005) 15: 1015-1018 [PMID:15686903]
Plasmodium yoelii (target type: ORGANISM) [ChEMBL: CHEMBL612889]
ChEMBL NOVARTIS: Antimalarial liver stage activity measured as reduction in Plasmodium yoelii schizont area in HepG2-A16-CD81 cells by immuno-fluorescence, and median schizont size at 10uM compound concentration F 6.78 pIC50 165.7 nM IC50 Science (2011) 334: 1372-1377 [PMID:22096101]
Plasmodium yoelii yoelii (target type: ORGANISM) [ChEMBL: CHEMBL612328]
ChEMBL Antimicrobial activity against Plasmodium yoelii 265 liver infected in mammalian hepatocytes after 48 hrs F 4.52 pIC50 30000 nM IC50 Antimicrob Agents Chemother (2008) 52: 1215-1220 [PMID:18212104]
Prion protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4869] [UniProtKB: P04156]
ChEMBL Half maximal inhibition of Prion protein PrPsc formation was assayed in ScN2a cells B 6.52 pEC50 300 nM EC50 J Med Chem (2003) 46: 3563-3564 [PMID:12904059]
Prion protein in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3698] [UniProtKB: P04925]
ChEMBL Synergistic anti-prion activity of mouse ScN2a cells infected with RML prion assessed as reduction of RML accumulation by isobologram analysis B 7.02 pIC50 95.1 nM IC50 J Med Chem (2022) 65: 8998-9010 [PMID:35771181]
Riboflavin-binding protein in Chicken (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1944489] [UniProtKB: P02752]
ChEMBL Binding affinity to chicken riboflavin binding protein assessed as dissociation constant at pH 7.4 in phosphate buffer by isothermal titration calorimetric assay B 6.58 pKd 264 nM Kd ACS Med Chem Lett (2011) 2: 363-367 [PMID:21686082]
ChEMBL Competitive inhibition of chicken riboflavin binding protein by surface plasmon resonance assay B 5.17 pKi 6700 nM Ki ACS Med Chem Lett (2011) 2: 363-367 [PMID:21686082]
5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL224] [GtoPdb: 6] [UniProtKB: P28223]
ChEMBL DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin) B 6.12 pKi 761 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin) B 5.57 pIC50 2663 nM IC50 DrugMatrix in vitro pharmacology data
Trypanothione reductase in Leishmania infantum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1944501] [UniProtKB: A4HSF7]
ChEMBL Inhibition of recombinant His-tagged Leishmania infantum TryR oxidoreductase activity expressed in Escherichia coli BL21 (DE3) using TS2 and NADPH as substrate by DTNB-reagent based spectrophotometric method B 4.87 pIC50 13530 nM IC50 Eur J Med Chem (2022) 227: 113915-113915 [PMID:34695777]
Trypanothione reductase in Trypanosoma cruzi (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5131] [UniProtKB: P28593]
ChEMBL The competitive inhibitory activity against trypanothione reductase was evaluated from Lineweaver Burk plots B 4.72 pKi 19000 nM Ki J Med Chem (1999) 42: 5448-5454 [PMID:10639286]
ChEMBL Inhibition of Trypanosoma cruzi trypanothione reductase B 4.72 pKi 19000 nM Ki Bioorg Med Chem Lett (2009) 19: 3031-3035 [PMID:19414258]
ChEMBL Inhibition of Trypanosoma cruzi TryR assessed as inhibition constant B 4.72 pKi 19000 nM Ki Eur J Med Chem (2017) 139: 982-1015 [PMID:28886510]
Voltage-dependent L-type calcium channel subunit alpha-1C in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2366456] [UniProtKB: O35505]
ChEMBL Inhibition of Cav1.2 calcium current measured using whole cell patch clamp in guinea pig ventricular myocytes F 5.25 pIC50 5600 nM IC50 IC50 data for the L-type calcium channel extracted from a set of literature articles
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 5.28 pIC50 5200 nM IC50 J Appl Toxicol (2012) 32: 858-866 [PMID:22761000]

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]