zaprinast [Ligand Id: 2919] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL28079 (M&B 22948, NSC-757885, Zaprinast) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| GPR35/G-protein coupled receptor 35 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293267] [GtoPdb: 102] [UniProtKB: Q9HC97] | ||||||||
| ChEMBL | Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis | B | 6.4 | pKi | 401 | nM | Ki | J Med Chem (2013) 56: 7084-7099 [PMID:23888932] |
| ChEMBL | Antagonist activity at GPR35 in human HT-29 cells assessed as inhibition of zaprinast-induced DMR by dynamic mass redistribution assay | F | 4.98 | pIC50 | 10500 | nM | IC50 | J Med Chem (2011) 54: 7385-7396 [PMID:21950657] |
| ChEMBL | Agonist activity at GPR35 in human HT-29 cells assessed as desensitization of 1 uM zaprinast-induced DMR after 1 hr by dynamic mass redistribution assay | F | 5.91 | pIC50 | 1220 | nM | IC50 | J Med Chem (2011) 54: 7385-7396 [PMID:21950657] |
| ChEMBL | Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins | B | 5.91 | pIC50 | 1220 | nM | IC50 | ACS Med Chem Lett (2012) 3: 165-169 [PMID:24900447] |
| ChEMBL | Agonist activity at human GPR35 receptor expressed in CHO-K1 cells assessed as desensitization of zaprinast-induced DMR response preincubated for 1 hr followed by zaprinast stimulation by DMR desensitization assay | F | 7.32 | pIC50 | 48.15 | nM | IC50 | J Med Chem (2021) 64: 2634-2647 [PMID:33630609] |
| ChEMBL | Agonist activity at GPR35 in human U20S cells expressing beta-lactamase and Gal4-VP16 transcription factor assessed as beta arrestin translocation after 5 hrs by Tango assay | F | 5.21 | pEC50 | 6200 | nM | EC50 | Bioorg Med Chem Lett (2012) 22: 4148-4152 [PMID:22572579] |
| ChEMBL | Agonist activity at GPR35 receptor in human U2OS cells coexpressing Gal4-VP16-TEV assessed as beta arrestin translocation after 5 hrs by beta lactamase reporter gene assay | F | 5.21 | pEC50 | 6100 | nM | EC50 | ACS Med Chem Lett (2012) 3: 165-169 [PMID:24900447] |
| ChEMBL | Agonist activity at human GPR35 expressed in U2OS cells coexpressing Gal4-VP16/beta-arrestin fusion protein after 5 hrs by tango beta-arrestin translocation reporter gene assay | F | 5.28 | pEC50 | 5300 | nM | EC50 | ACS Med Chem Lett (2012) 3: 550-554 [PMID:24900508] |
| ChEMBL | Agonist activity at human GPR35 expressed in CHO-K1 cells after 90 mins by beta-arrestin 2 recruitment assay | B | 5.38 | pEC50 | 4200 | nM | EC50 | J Med Chem (2017) 60: 362-372 [PMID:27976894] |
| ChEMBL | Agonist activity at GPR35 in human U20S cells expressing beta-lactamase and GPR35-GA14-VP16 transcription factor fusion protein assessed as transcriptional activation after 5 hrs by tango beta-arrestin translocation reporter assay | F | 5.38 | pEC50 | 4200 | nM | EC50 | J Med Chem (2011) 54: 7385-7396 [PMID:21950657] |
| ChEMBL | Agonist activity at TEV protease cleavage site linked GAL4-VP16-fused GPR35 in human Tango GPR35-bla U2OS cells assessed as induction of TEV protease-tagged beta-arrestin recruitment incubated for 5 hrs by beta-lactamase reporter gene assay | B | 5.45 | pEC50 | 3520 | nM | EC50 | J Med Chem (2017) 60: 362-372 [PMID:27976894] |
| ChEMBL | Agonist activity at GPR35 in human U2OS cells assessed as induction of beta-arrestin translocation after 5 hrs by beta-lactamase reporter gene assay | B | 5.49 | pEC50 | 3250 | nM | EC50 | Medchemcomm (2012) 3: 1270-1274 |
| ChEMBL | Agonist activity at human GPR35b expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter gene assay | B | 5.65 | pEC50 | 2240 | nM | EC50 | J Med Chem (2013) 56: 5182-5197 [PMID:23713606] |
| ChEMBL | Agonist activity at human GPR35 assessed as induction of beta-arrestin recruitment | F | 5.7 | pEC50 | 2000 | nM | EC50 | ACS Med Chem Lett (2018) 9: 422-427 [PMID:29795753] |
| ChEMBL | Agonist activity at human GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter gene assay | B | 5.71 | pEC50 | 1960 | nM | EC50 | J Med Chem (2013) 56: 5182-5197 [PMID:23713606] |
| GtoPdb | - | - | 6.1 | pEC50 | - | - | - | FEBS Lett (2006) 580: 5003-8 [PMID:16934253] |
| ChEMBL | Agonist activity at human GPR35 receptor expressed in HT-29 cells assessed as dynamic mass redistribution response by DMR assay | F | 6.47 | pEC50 | 340 | nM | EC50 | J Med Chem (2021) 64: 2634-2647 [PMID:33630609] |
| ChEMBL | Agonist activity at GPR35 in human HT-29 cells by DMR assay | B | 6.47 | pEC50 | 340 | nM | EC50 | J Med Chem (2017) 60: 362-372 [PMID:27976894] |
| ChEMBL | Agonist activity at GPR35 in human HT-29 cells by dynamic mass redistribution assay | F | 6.8 | pEC50 | 160 | nM | EC50 | Bioorg Med Chem Lett (2012) 22: 4148-4152 [PMID:22572579] |
| ChEMBL | Agonist activity at human GPR35 expressed in CHO-K1 cells by DMR assay | B | 6.8 | pEC50 | 160 | nM | EC50 | J Med Chem (2017) 60: 362-372 [PMID:27976894] |
| ChEMBL | Agonist activity at GPR35 in human HT-29 cells after 1 hr by dynamic mass redistribution assay | F | 6.8 | pEC50 | 160 | nM | EC50 | J Med Chem (2011) 54: 7385-7396 [PMID:21950657] |
| ChEMBL | Agonist activity at GPR35 receptor in human HT-29 cells after 10 mins by dynamic mass redistribution assay | F | 6.8 | pEC50 | 160 | nM | EC50 | ACS Med Chem Lett (2012) 3: 165-169 [PMID:24900447] |
| ChEMBL | Agonist activity at GPR35 in human HT-29 cells measured after 10 mins by dynamic mass redistribution assay | F | 6.85 | pEC50 | 140 | nM | EC50 | ACS Med Chem Lett (2012) 3: 550-554 [PMID:24900508] |
| ChEMBL | Agonist activity at human GPR35 by Ca+2 release assay | B | 6.89 | pEC50 | 130 | nM | EC50 | J Med Chem (2013) 56: 7084-7099 [PMID:23888932] |
| ChEMBL | Agonist activity at GPR35 in human HT-29 cells assessed as induction of whole cell dynamic mass redistribution after 50 mins by resonant waveguide grating biosensor analysis | B | 6.96 | pEC50 | 110 | nM | EC50 | Medchemcomm (2012) 3: 1270-1274 |
| ChEMBL | Agonist activity at human GPR35 receptor expressed in CHO-K1 cells assessed as dynamic mass redistribution response by DMR assay | F | 7.2 | pEC50 | 62.83 | nM | EC50 | J Med Chem (2021) 64: 2634-2647 [PMID:33630609] |
| GPR35/G-protein coupled receptor 35 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2390813] [GtoPdb: 102] [UniProtKB: Q9ES90] | ||||||||
| ChEMBL | Agonist activity at mouse GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter gene assay | B | 6.01 | pEC50 | 980 | nM | EC50 | J Med Chem (2013) 56: 5182-5197 [PMID:23713606] |
| GPR35 in Rat [GtoPdb: 102] [UniProtKB: Q33BM1] | ||||||||
| GtoPdb | - | - | 7.8 | pEC50 | - | - | - | FEBS Lett (2006) 580: 5003-8 [PMID:16934253] |
| GPR35 in Human [GtoPdb: 102] [UniProtKB: Q9HC97] | ||||||||
| GtoPdb | - | - | 6.1 | pEC50 | - | - | - | FEBS Lett (2006) 580: 5003-8 [PMID:16934253] |
| GPR35/G protein-coupled receptor GPR35 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2390812] [GtoPdb: 102] [UniProtKB: Q33BM1] | ||||||||
| ChEMBL | Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter gene assay | B | 7.21 | pEC50 | 61.1 | nM | EC50 | J Med Chem (2013) 56: 5182-5197 [PMID:23713606] |
| GtoPdb | - | - | 7.8 | pEC50 | - | - | - | FEBS Lett (2006) 580: 5003-8 [PMID:16934253] |
| phosphodiesterase 10A/Phosphodiesterase 10A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4409] [GtoPdb: 1310] [UniProtKB: Q9Y233] | ||||||||
| ChEMBL | Inhibitory concentration value against phosphodiesterase 10 | B | 4.66 | pIC50 | 22000 | nM | IC50 | J Med Chem (2005) 48: 3449-3462 [PMID:15887951] |
| phosphodiesterase 11A/Phosphodiesterase 11A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2717] [GtoPdb: 1311] [UniProtKB: Q9HCR9] | ||||||||
| ChEMBL | Inhibition of human phosphodiesterase 11 | B | 4.92 | pKi | 12000 | nM | Ki | J Med Chem (2005) 48: 3449-3462 [PMID:15887951] |
| phosphodiesterase 1C/Phosphodiesterase 1C in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4619] [GtoPdb: 1296] [UniProtKB: Q14123] | ||||||||
| ChEMBL | Inhibition of phosphodiesterase 1C at 100 uM | B | 4.89 | pIC50 | 13000 | nM | IC50 | J Med Chem (1994) 37: 476-485 [PMID:8120866] |
| phosphodiesterase 2A/Phosphodiesterase 2A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2652] [GtoPdb: 1297] [UniProtKB: O00408] | ||||||||
| ChEMBL | Inhibition of phosphodiesterase 2 (PDE2) from porcine platelets, range 68.1-119 | B | 4.04 | pIC50 | 90200 | nM | IC50 | J Med Chem (2000) 43: 2523-2529 [PMID:10891111] |
| ChEMBL | Inhibition of cGMP-stimulated phosphodiesterase 2 of porcine coronary arteries | B | 4.33 | pIC50 | 46800 | nM | IC50 | J Med Chem (1993) 36: 3765-3770 [PMID:8254606] |
| ChEMBL | Inhibition of human recombinant PDE2 (phosphodiesterase 2) | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2003) 46: 4525-4532 [PMID:14521414] |
| phosphodiesterase 2A/Phosphodiesterase 2A in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4650] [GtoPdb: 1297] [UniProtKB: Q01062] | ||||||||
| ChEMBL | Inhibition of rat brain Phosphodiesterase 2 | B | 4 | pIC50 | 100000 | nM | IC50 | J Med Chem (1995) 38: 3547-3557 [PMID:7658441] |
| ChEMBL | Inhibition of rat brain particulate cGMP phosphodiesterase | B | 4.2 | pIC50 | 63100 | nM | IC50 | J Med Chem (1982) 25: 1192-1198 [PMID:6292419] |
| Phosphodiesterase 3A in Pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3061] [UniProtKB: Q9XSW7] | ||||||||
| ChEMBL | Inhibition of phosphodiesterase 3 (PDE3) from porcine platelets | B | 4 | pIC50 | >100000 | nM | IC50 | J Med Chem (2000) 43: 2523-2529 [PMID:10891111] |
| ChEMBL | Inhibition of cGMP-inhibited phosphodiesterase from porcine coronary arteries | B | 4 | pIC50 | >100000 | nM | IC50 | J Med Chem (1993) 36: 3765-3770 [PMID:8254606] |
| Phosphodiesterase 3B in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5129] [UniProtKB: E1BN64] | ||||||||
| ChEMBL | Inhibition of bovine aorta PDE3 (phosphodiesterase 3) | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2003) 46: 4525-4532 [PMID:14521414] |
| phosphodiesterase 4A/Phosphodiesterase 4A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL254] [GtoPdb: 1300] [UniProtKB: P27815] | ||||||||
| ChEMBL | Inhibition of [3H]cAMP binding to recombinant human Phosphodiesterase 4AL (PDE4AL) in baculovirus expression system | B | 4.3 | pKi | >50000 | nM | Ki | J Med Chem (2005) 48: 1237-1243 [PMID:15715490] |
| Phosphodiesterase 4A in Pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3333] [UniProtKB: O77823] | ||||||||
| ChEMBL | Inhibition of phosphodiesterase 4 (PDE4) from porcine liver | B | 4 | pIC50 | >100000 | nM | IC50 | J Med Chem (2000) 43: 2523-2529 [PMID:10891111] |
| ChEMBL | Inhibition of cAMP specific phosphodiesterase from porcine aorta | B | 4.1 | pIC50 | 79600 | nM | IC50 | J Med Chem (1993) 36: 3765-3770 [PMID:8254606] |
| phosphodiesterase 4B/Phosphodiesterase 4B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL275] [GtoPdb: 1301] [UniProtKB: Q07343] | ||||||||
| ChEMBL | Inhibition of [3H]cAMP binding to recombinant human Phosphodiesterase 4BL (PDE4BL) in baculovirus expression system | B | 4.3 | pKi | >50000 | nM | Ki | J Med Chem (2005) 48: 1237-1243 [PMID:15715490] |
| phosphodiesterase 4D/Phosphodiesterase 4D in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL288] [GtoPdb: 1303] [UniProtKB: Q08499] | ||||||||
| ChEMBL | Inhibition of [3H]cAMP binding to recombinant human Phosphodiesterase 4DE (PDE4DE) in baculovirus expression system | B | 4.3 | pKi | >50000 | nM | Ki | J Med Chem (2005) 48: 1237-1243 [PMID:15715490] |
| ChEMBL | Inhibition of [3H]cAMP binding to recombinant human Phosphodiesterase 4D3 (PDE4D3) in baculovirus expression system | B | 4.3 | pKi | >50000 | nM | Ki | J Med Chem (2005) 48: 1237-1243 [PMID:15715490] |
| ChEMBL | Inhibition of [3H]cAMP binding to recombinant human Phosphodiesterase 4D5 (PDE4D5) in baculovirus expression system | B | 5.06 | pKi | 8760 | nM | Ki | J Med Chem (2005) 48: 1237-1243 [PMID:15715490] |
| phosphodiesterase 5A/Phosphodiesterase 5A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1827] [GtoPdb: 1304] [UniProtKB: O76074] | ||||||||
| ChEMBL | Inhibition of human phosphodiesterase 5 | B | 6.89 | pKi | 130 | nM | Ki | J Med Chem (2005) 48: 3449-3462 [PMID:15887951] |
| ChEMBL | Inhibition of PDE5 (unknown origin) | B | 5.5 | pIC50 | 3162.28 | nM | IC50 | J Med Chem (2018) 61: 6421-6467 [PMID:29620890] |
| ChEMBL | Inhibitory activity against phosphodiesterase 5 from human platelets | B | 5.57 | pIC50 | 2700 | nM | IC50 | J Med Chem (1995) 38: 3547-3557 [PMID:7658441] |
| ChEMBL | Inhibition of PDE5 (unknown origin) | B | 5.7 | pIC50 | 2000 | nM | IC50 | J Med Chem (2018) 61: 6421-6467 [PMID:29620890] |
| ChEMBL | Inhibition of Phosphodiesterase 5 from human corpus cavernosum | B | 5.7 | pIC50 | 2000 | nM | IC50 | Bioorg Med Chem Lett (1996) 6: 1819-1824 |
| ChEMBL | Inhibition of PDE5 | B | 5.7 | pIC50 | 1995.26 | nM | IC50 | Bioorg Med Chem (2008) 16: 7599-7606 [PMID:18656371] |
| ChEMBL | DRUGMATRIX: Phosphodiesterase PDE5 enzyme inhibition (substrate: [3H]cGMP + cGMP) | B | 5.87 | pIC50 | 1349 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| ChEMBL | Inhibition of phosphodiesterase 5 (PDE5) from porcine platelets, range 0.733-1.68 | B | 5.95 | pIC50 | 1110 | nM | IC50 | J Med Chem (2000) 43: 2523-2529 [PMID:10891111] |
| ChEMBL | In vitro inhibition of PDE-V isolated from porcine pulmonary artery. | B | 6 | pIC50 | 1000 | nM | IC50 | J Med Chem (1993) 36: 1387-1392 [PMID:8388468] |
| ChEMBL | Concentration required to inhibit 50% activity of phosphodiesterase VA isoenzyme at 100 uM | B | 6.05 | pIC50 | 900 | nM | IC50 | J Med Chem (1994) 37: 476-485 [PMID:8120866] |
| ChEMBL | Inhibitory activity against cyclic GMP-phosphodiesterase (PDE V) isolated from porcine aorta. | B | 6.35 | pIC50 | 450 | nM | IC50 | J Med Chem (1993) 36: 3765-3770 [PMID:8254606] |
| ChEMBL | In vitro inhibition of phosphodiesterase (PDE V). | B | 6.52 | pIC50 | 300 | nM | IC50 | Bioorg Med Chem Lett (1997) 7: 89-94 |
| ChEMBL | Inhibition of Phosphodiesterase 5 from human | B | 6.7 | pIC50 | 200 | nM | IC50 | J Med Chem (1996) 39: 1635-1644 [PMID:8648603] |
| GtoPdb | - | - | 6.8 | pIC50 | 158 | nM | IC50 | Mol Pharmacol (1999) 56: 124-30 [PMID:10385692] |
| Phosphodiesterase 5A in Dog (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2304402] [UniProtKB: O77746] | ||||||||
| ChEMBL | Inhibition of PDE5 (unknown origin) | B | 6.12 | pIC50 | 760 | nM | IC50 | J Med Chem (2013) 56: 5182-5197 [PMID:23713606] |
| Phosphodiesterase 5A in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3478] [UniProtKB: Q28156] | ||||||||
| ChEMBL | Inhibition of bovine platelet PDE5 | B | 6.22 | pIC50 | 600 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 3983-3987 [PMID:22607677] |
| ChEMBL | Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung | B | 6.3 | pIC50 | 500 | nM | IC50 | J Med Chem (1997) 40: 2196-2210 [PMID:9216839] |
| ChEMBL | Inhibition of bovine aortic smooth muscle PDE5 using cGMP as substrate incubated for 30 mins in presence of EGTA and [3H]cGMP by liquid scintillation counting method | B | 6.52 | pIC50 | 300 | nM | IC50 | Eur J Med Chem (2019) 177: 269-290 [PMID:31158744] |
| ChEMBL | Inhibitory activity against bovine PDE5 (phosphodiesterase-5). | B | 6.7 | pIC50 | 200 | nM | IC50 | J Med Chem (2003) 46: 4525-4532 [PMID:14521414] |
| phosphodiesterase 5A/Phosphodiesterase 5A in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4567] [GtoPdb: 1304] [UniProtKB: O54735] | ||||||||
| ChEMBL | Compound was tested for inhibition of stimulation of rat aortic smooth muscle cells (RSMC) | F | 5.05 | pEC50 | 9000 | nM | EC50 | J Med Chem (1996) 39: 1635-1644 [PMID:8648603] |
| phosphodiesterase 9A/Phosphodiesterase 9A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3535] [GtoPdb: 1309] [UniProtKB: O76083] | ||||||||
| ChEMBL | Inhibition of human phosphodiesterase 9 | B | 4.46 | pKi | 35000 | nM | Ki | J Med Chem (2005) 48: 3449-3462 [PMID:15887951] |
| GtoPdb | - | - | 4.5 | pIC50 | 31600 | nM | IC50 | J Biol Chem (1998) 273: 15559-64 [PMID:9624146] |
| Plasmodium berghei (target type: ORGANISM) [ChEMBL: CHEMBL612653] | ||||||||
| ChEMBL | HARVARD: Inhibition of liver stage Plasmodium berghei infection in HepG2 cells | F | 5.11 | pIC50 | 7790 | nM | IC50 | Proc Natl Acad Sci U S A (2012) 109: 8511-8516 [PMID:22586124] |
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | HARVARD: Inhibition of blood stage Plasmodium falciparum 3D7 infection | F | 4.3 | pIC50 | >50000 | nM | IC50 | Proc Natl Acad Sci U S A (2012) 109: 8511-8516 [PMID:22586124] |
| ChEMBL | Antiplasmodial activity against chloroquine-susceptible Plasmodium falciparum GHA strain infected in human erythrocytes after 72 hrs by spectrophotometry | F | 4.46 | pIC50 | 35000 | nM | IC50 | J Med Chem (2011) 54: 3222-3240 [PMID:21504142] |
| ChEMBL | HARVARD: Inhibition of blood stage Plasmodium falciparum Dd2 infection | F | 4.71 | pIC50 | 19300 | nM | IC50 | Proc Natl Acad Sci U S A (2012) 109: 8511-8516 [PMID:22586124] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay | F | 4.9 | pIC50 | 12589.25 | 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 | pIC50 | 10000 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
| mitochondrial pyruvate carrier 2 in Human [GtoPdb: 3023] [UniProtKB: O95563] | ||||||||
| GtoPdb | - | - | 6.52 | pIC50 | 300 | nM | IC50 | Mol Metab (2022) 60: 101469 [PMID:35278701] |
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]
