Click here for a description of the charts and data table
Please tell us if you are using this feature and what you think!
ChEMBL ligand: CHEMBL779 (Adcirca, Adcirca (previously tadalafil lilly), Cialis, IC-351, IC351, LY-450190, LY450190, NSC-750236, NSC-759172, Tadalafil, Tadalafil mylan, Tadliq, Trans-tadalafil) |
---|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
---|---|---|---|---|---|---|---|---|
acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3199] [GtoPdb: 2465] [UniProtKB: P37136] | ||||||||
ChEMBL | Inhibition of AChE from rat cortex by Ellman's method | B | 4.58 | pIC50 | 26159 | nM | IC50 | Eur J Med Chem (2019) 176: 228-247 [PMID:31103902] |
Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
ChEMBL | Inhibition of human ERG channel in HEK293 cells by voltage-clamp method | B | 4 | pIC50 | 100000 | nM | IC50 | Eur J Med Chem (2008) 43: 2479-2488 [PMID:18262683] |
ChEMBL | Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay | F | 4 | pIC50 | 100000 | nM | IC50 | J Pharmacol Toxicol Methods (2014) 70: 246-254 [PMID:25087753] |
ChEMBL | Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform | F | 4.1 | pIC50 | 79432.82 | nM | IC50 | J Pharmacol Toxicol Methods (2014) 70: 246-254 [PMID:25087753] |
TLX/Nuclear receptor subfamily 2 group E member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1961788] [GtoPdb: 615] [UniProtKB: Q9Y466] | ||||||||
ChEMBL | Agonist activity at in human TLX LBD expressed in human HEK293T cells coexpressing Gal4-VP 16 assessed as increase in reporter activity measured after 14 hrs by luciferase reporter gene assay relative to control | B | 5.3 | pEC50 | 5000 | nM | EC50 | J Med Chem (2021) 64: 8727-8738 [PMID:34115934] |
phosphodiesterase 10A/Phosphodiesterase 10A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4409] [GtoPdb: 1310] [UniProtKB: Q9Y233] | ||||||||
ChEMBL | Inhibitory concentration against human phosphodiesterase 10 | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 2365-2369 [PMID:15837326] |
ChEMBL | Inhibition of PDE10 (unknown origin) using FAM-cGMP and FAM-cAMP as substrate after 60 mins by fluorescence assay | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2013) 60: 285-294 [PMID:23313637] |
ChEMBL | Inhibition of recombinant human N-terminal GST-tagged PDE10A1 (2 to 789 residues) expressed in baculovirus infected sf9 cells using FAM-cyclic-3',5-AMP as substrate after 1 hr by fluorescence polarization assay | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2018) 158: 767-780 [PMID:30245400] |
phosphodiesterase 11A/Phosphodiesterase 11A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2717] [GtoPdb: 1311] [UniProtKB: Q9HCR9] | ||||||||
ChEMBL | Inhibitory concentration against phosphodiesterase-11 | B | 4.22 | pIC50 | 60000 | nM | IC50 | J Med Chem (2005) 48: 3449-3462 [PMID:15887951] |
GtoPdb | - | - | 6.52 | pIC50 | 300 | nM | IC50 | J Med Chem (2011) 54: 495-509 [PMID:21189023] |
ChEMBL | Inhibition of human recombinant PDE11A-mediated hydrolysis of cAMP after 30 mins by fluorescence polarization assay | B | 6.52 | pIC50 | 300 | nM | IC50 | J Med Chem (2011) 54: 495-509 [PMID:21189023] |
ChEMBL | Inhibition of human recombinant PDE11 | B | 6.54 | pIC50 | 290 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 6279-6282 [PMID:18976905] |
ChEMBL | Inhibition of human recombinant PDE11 | B | 6.54 | pIC50 | 290 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 383-386 [PMID:19906530] |
ChEMBL | Inhibition of human recombinant PDE11A-mediated hydrolysis of cGMP after 30 mins by fluorescence polarization assay | B | 7.3 | pIC50 | 50 | nM | IC50 | J Med Chem (2011) 54: 495-509 [PMID:21189023] |
ChEMBL | Inhibition of full length recombinant human N-terminal GST-tagged PDE11A4 expressed in baculovirus infected sf9 cells using FAM-cyclic-3',5-AMP as substrate after 1 hr by fluorescence polarization assay | B | 7.33 | pIC50 | 47 | nM | IC50 | Eur J Med Chem (2018) 158: 767-780 [PMID:30245400] |
ChEMBL | Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression | B | 7.43 | pIC50 | 37 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 1425-1428 [PMID:12668004] |
ChEMBL | Inhibition of human phosphodiesterase 11 | B | 7.48 | pIC50 | 33 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 2365-2369 [PMID:15837326] |
ChEMBL | Inhibition of PDE11 (unknown origin) using FAM-cGMP and FAM-cAMP as substrate after 60 mins by fluorescence assay | B | 8 | pIC50 | 10 | nM | IC50 | Eur J Med Chem (2013) 60: 285-294 [PMID:23313637] |
phosphodiesterase 1A/Phosphodiesterase 1A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3421] [GtoPdb: 1294] [UniProtKB: P54750] | ||||||||
ChEMBL | Inhibition of full length recombinant human N-terminal GST-tagged PDE1A expressed in baculovirus infected sf9 cells using FAM-cyclic-3',5-AMP as substrate after 1 hr by fluorescence polarization assay | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2018) 158: 767-780 [PMID:30245400] |
phosphodiesterase 2A/Phosphodiesterase 2A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2652] [GtoPdb: 1297] [UniProtKB: O00408] | ||||||||
ChEMBL | Inhibition of Human recombinant PDE2 (Phosphodiesterase 2) | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2003) 46: 4533-4542 [PMID:14521415] |
ChEMBL | Inhibition of human phosphodiesterase 2 | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 2365-2369 [PMID:15837326] |
ChEMBL | Inhibition of PDE2 (unknown origin) using FAM-cGMP and FAM-cAMP as substrate after 60 mins by fluorescence assay | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2013) 60: 285-294 [PMID:23313637] |
ChEMBL | Inhibition of recombinant human N-terminal FLAG-tagged PDE2A (2 to 941 residues) expressed in baculovirus infected sf9 cells using FAM-cyclic-3',5-AMP as substrate after 1 hr by fluorescence polarization assay | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2018) 158: 767-780 [PMID:30245400] |
phosphodiesterase 3B/Phosphodiesterase 3B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL290] [GtoPdb: 1299] [UniProtKB: Q13370] | ||||||||
ChEMBL | Inhibition of human recombinant PDE3B-mediated hydrolysis of cAMP after 30 mins by fluorescence polarization assay | B | 4.3 | pIC50 | >50000 | nM | IC50 | J Med Chem (2011) 54: 495-509 [PMID:21189023] |
ChEMBL | Inhibition of human recombinant PDE3B-mediated hydrolysis of cGMP after 30 mins by fluorescence polarization assay | B | 4.3 | pIC50 | >50000 | nM | IC50 | J Med Chem (2011) 54: 495-509 [PMID:21189023] |
ChEMBL | Inhibition of recombinant human N-terminal GST-tagged PDE3B (592 to end residues) expressed in baculovirus infected sf9 cells using FAM-cyclic-3',5-AMP as substrate after 1 hr by fluorescence polarization assay | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2018) 158: 767-780 [PMID:30245400] |
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: 4533-4542 [PMID:14521415] |
phosphodiesterase 4A/Phosphodiesterase 4A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL254] [GtoPdb: 1300] [UniProtKB: P27815] | ||||||||
ChEMBL | Inhibition of full length recombinant human N-terminal GST-tagged PDE4A1A expressed in baculovirus infected sf9 cells using FAM-cyclic-3',5-AMP as substrate after 1 hr by fluorescence polarization assay | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2018) 158: 767-780 [PMID:30245400] |
phosphodiesterase 4B/Phosphodiesterase 4B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL275] [GtoPdb: 1301] [UniProtKB: Q07343] | ||||||||
ChEMBL | Inhibition of human recombinant PDE4B-mediated hydrolysis of cAMP after 30 mins by fluorescence polarization assay | B | 4.3 | pIC50 | >50000 | nM | IC50 | J Med Chem (2011) 54: 495-509 [PMID:21189023] |
phosphodiesterase 5A/Phosphodiesterase 5A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1827] [GtoPdb: 1304] [UniProtKB: O76074] | ||||||||
ChEMBL | Inhibition of human phosphodiesterase 5 | B | 8 | pKi | 10 | nM | Ki | J Med Chem (2005) 48: 3449-3462 [PMID:15887951] |
ChEMBL | Inhibition of PDE5 (unknown origin) | B | 8.28 | pKi | 5.2 | nM | Ki | Eur J Med Chem (2018) 158: 767-780 [PMID:30245400] |
ChEMBL | Inhibition of PDE5 (unknown origin) | B | 4.59 | pIC50 | 26000 | nM | IC50 | J Med Chem (2021) 64: 1392-1422 [PMID:33528252] |
ChEMBL | Inhibition of recombinant human PDE5A | B | 8.03 | pIC50 | 9.4 | nM | IC50 | J Med Chem (2016) 59: 8967-9004 [PMID:27606546] |
ChEMBL | Inhibition of PDE5A (unknown origin) | B | 8.03 | pIC50 | 9.4 | nM | IC50 | Eur J Med Chem (2018) 150: 506-524 [PMID:29549837] |
ChEMBL | Inhibition of human recombinant PDE5A using (Fl)-cAMP and TAMRA-cGMP as substrate incubated for 60 mins by IMAP-fluorescence polarization assay | B | 8.15 | pIC50 | 7 | nM | IC50 | Eur J Med Chem (2021) 212: 113123-113123 [PMID:33412421] |
ChEMBL | Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue | B | 8.17 | pIC50 | 6.7 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 1425-1428 [PMID:12668004] |
ChEMBL | Inhibition of PDE5 | B | 8.3 | pIC50 | 5.01 | nM | IC50 | Bioorg Med Chem (2008) 16: 7599-7606 [PMID:18656371] |
ChEMBL | Inhibition of PDE5A (unknown origin) | B | 8.3 | pIC50 | 5 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 127097-127097 [PMID:32171616] |
ChEMBL | Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected sf9 cells using FAM-cyclic-3',5-GMP as substrate after 1 hr by fluorescence polarization assay | B | 8.33 | pIC50 | 4.67 | nM | IC50 | Eur J Med Chem (2018) 158: 767-780 [PMID:30245400] |
ChEMBL | Inhibition of human recombinant PDE5 after 1.5 hrs by fluorescent polarization assay | B | 8.4 | pIC50 | 4 | nM | IC50 | Eur J Med Chem (2010) 45: 1278-1286 [PMID:20206015] |
ChEMBL | Inhibition of PDE5A1 (unknown origin) by immobilized metal ion affinity-based fluorescence polarization | B | 8.4 | pIC50 | 4 | nM | IC50 | Eur J Med Chem (2019) 176: 228-247 [PMID:31103902] |
ChEMBL | Inhibition of human phosphodiesterase 5 | B | 8.4 | pIC50 | 4 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 2365-2369 [PMID:15837326] |
ChEMBL | Inhibition of PDE5 (unknown origin) | B | 8.5 | pIC50 | 3.16 | nM | IC50 | J Med Chem (2018) 61: 6421-6467 [PMID:29620890] |
GtoPdb | - | - | 8.52 | pIC50 | 3 | nM | IC50 | J Med Chem (2011) 54: 495-509 [PMID:21189023] |
ChEMBL | Inhibition of human recombinant PDE5A-mediated hydrolysis of cGMP after 30 mins by fluorescence polarization assay | B | 8.52 | pIC50 | 3 | nM | IC50 | J Med Chem (2011) 54: 495-509 [PMID:21189023] |
ChEMBL | Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by scintillation proximity assay | B | 8.63 | pIC50 | 2.35 | nM | IC50 | J Med Chem (2019) 62: 4979-4990 [PMID:31021628] |
ChEMBL | Inhibition of Phosphodiesterase 5 from human platelets | B | 8.89 | pIC50 | 1.3 | nM | IC50 | J Med Chem (2003) 46: 457-460 [PMID:12570368] |
ChEMBL | Inhibition of PDE5A (unknown origin) | B | 8.92 | pIC50 | 1.2 | nM | IC50 | J Med Chem (2018) 61: 5467-5483 [PMID:29363967] |
ChEMBL | Inhibition of PDE5 (unknown origin) using FAM-cGMP as substrate after 60 mins by fluorescence assay | B | 8.92 | pIC50 | 1.2 | nM | IC50 | Eur J Med Chem (2013) 60: 285-294 [PMID:23313637] |
ChEMBL | Inhibition of PDE5A in HEK293 cells stably transfected with cGMP biosensor assessed as increase in SNP-induced intracellular cGMP level measured after 90 mins by luminescence assay | B | 5.24 | pEC50 | 5810 | nM | EC50 | J Med Chem (2021) 64: 4462-4477 [PMID:33793216] |
Phosphodiesterase 5A in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3478] [UniProtKB: Q28156] | ||||||||
ChEMBL | Inhibition of bovine PDE5 | B | 7.92 | pIC50 | 12 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 6279-6282 [PMID:18976905] |
ChEMBL | Inhibition of bovine platelet PDE5 | B | 7.92 | pIC50 | 12 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 383-386 [PMID:19906530] |
ChEMBL | In vitro inhibitory activity against bovine phosphodiesterase 5 | B | 8.3 | pIC50 | 5 | nM | IC50 | J Med Chem (2003) 46: 4533-4542 [PMID:14521415] |
ChEMBL | In vitro inhibitory activity against bovine phosphodiesterase 5 | B | 8.3 | pIC50 | 5 | nM | IC50 | J Med Chem (2003) 46: 4533-4542 [PMID:14521415] |
ChEMBL | Inhibition of bovine PDE5 after 24 hrs by time-resolved fluorescence resonance energy transfer assay | B | 8.3 | pIC50 | 5 | nM | IC50 | J Med Chem (2012) 55: 1274-1286 [PMID:22204607] |
ChEMBL | Inhibition of bovine PDE5 after 24 hrs by HTRF | B | 8.48 | pIC50 | 3.3 | nM | IC50 | Bioorg Med Chem Lett (2007) 17: 789-792 [PMID:17107795] |
phosphodiesterase 5A/Phosphodiesterase 5A in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4567] [GtoPdb: 1304] [UniProtKB: O54735] | ||||||||
ChEMBL | Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells | B | 8.3 | pKi | 5 | nM | Ki | J Med Chem (2005) 48: 2126-2133 [PMID:15771456] |
ChEMBL | Inhibition of PDE5 in Wistar rat mesentric arteries assessed as inhibition of phenylephrine-induced contraction by measuring increase in acetylcholine-induced vasorelaxation by pressure myographic method | B | 7.11 | pEC50 | 78 | nM | EC50 | Eur J Med Chem (2018) 158: 767-780 [PMID:30245400] |
Phosphodiesterase 6A in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3741] [UniProtKB: P11541] | ||||||||
ChEMBL | Inhibition of bovine retina PDE6 | B | 5.52 | pIC50 | 3000 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 383-386 [PMID:19906530] |
phosphodiesterase 6C/Phosphodiesterase 6C in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3977] [GtoPdb: 1314] [UniProtKB: P51160] | ||||||||
ChEMBL | Inhibition of full length recombinant human N-terminal GST-tagged PDE6C expressed in baculovirus infected sf9 cells using FAM-cyclic-3',5-AMP as substrate after 1 hr by fluorescence polarization assay | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2018) 158: 767-780 [PMID:30245400] |
phosphodiesterase 7A/Phosphodiesterase 7A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3012] [GtoPdb: 1305] [UniProtKB: Q13946] | ||||||||
ChEMBL | Inhibition of recombinant human N-terminal GST-tagged PDE7A (122 to end residues) expressed in baculovirus infected sf9 cells using FAM-cyclic-3',5-AMP as substrate after 1 hr by fluorescence polarization assay | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2018) 158: 767-780 [PMID:30245400] |
phosphodiesterase 8A/Phosphodiesterase 8A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4640] [GtoPdb: 1307] [UniProtKB: O60658] | ||||||||
ChEMBL | Inhibition of full length recombinant human N-terminal GST-tagged PDE8A1 expressed in baculovirus infected sf9 cells using FAM-cyclic-3',5-AMP as substrate after 1 hr by fluorescence polarization assay | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2018) 158: 767-780 [PMID:30245400] |
phosphodiesterase 9A/Phosphodiesterase 9A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3535] [GtoPdb: 1309] [UniProtKB: O76083] | ||||||||
ChEMBL | Inhibition of Phosphodiesterase 9 | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 2365-2369 [PMID:15837326] |
ChEMBL | Inhibition of PDE9 (unknown origin) using FAM-cGMP as substrate after 60 mins by fluorescence assay | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2013) 60: 285-294 [PMID:23313637] |
ChEMBL | Inhibition of full length recombinant human N-terminal GST-tagged PDE9A2 expressed in baculovirus infected sf9 cells using FAM-cyclic-3',5-AMP as substrate after 1 hr by fluorescence polarization assay | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2018) 158: 767-780 [PMID:30245400] |
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
ChEMBL | Antiplasmodial activity against chloroquine-susceptible Plasmodium falciparum GHA strain infected in human erythrocytes after 72 hrs by spectrophotometry | F | 4.19 | pIC50 | >64000 | nM | IC50 | J Med Chem (2011) 54: 3222-3240 [PMID:21504142] |
ChEMBL | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum GHA infected in human erythrocytes after 72 hrs using malstat staining by spectrophotometry | F | 4.19 | pIC50 | >64000 | nM | IC50 | J Med Chem (2012) 55: 1274-1286 [PMID:22204607] |
ChEMBL | Antimalarial activity against MRA-150, chloroquine, pyrimethamine, mefloquine-resistant asexual blood stage Plasmodium falciparum Dd2 after 72 hrs by SYBR green assay | F | 4.7 | pIC50 | >20000 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 1515-1519 [PMID:25754494] |
ChEMBL | DNDI: Malaria in Vitro, 72 hour | F | 4.89 | pIC50 | >12840 | nM | IC50 | Antiprotozoal Activity Profiling of Approved Drugs: A Starting Point toward Drug Repositioning |
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]