ZSTK474 [Ligand Id: 7965] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL586702 (GNF-PF-5468, TCMDC-137004, Zstk-474, Zstk474) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| phosphatidylinositol 3-kinase catalytic subunit type 3/Phosphatidylinositol 3-kinase catalytic subunit type 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075165] [GtoPdb: 2152] [UniProtKB: Q8NEB9] | ||||||||
| ChEMBL | Inhibition of human recombinant Vps34 using substrate PI incubated for 1 hr by Adapta kinase assay | B | 4 | pIC50 | >100000 | nM | IC50 | J Med Chem (2017) 60: 47-65 [PMID:27644332] |
| phosphatidylinositol-4-phosphate 3-kinase catalytic subunit type 2 beta/Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing beta polypeptide in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5554] [GtoPdb: 2151] [UniProtKB: O00750] | ||||||||
| ChEMBL | Inhibition of human PI3KC2beta by non-radiometric ADP-Glo assay | B | 6.74 | pIC50 | 180 | nM | IC50 | ACS Med Chem Lett (2015) 6: 3-6 [PMID:25589915] |
| ChEMBL | Inhibition of human recombinant PI3KC2beta using substrate PI incubated for 1 hr by Adapta kinase assay | B | 6.74 | pIC50 | 180 | nM | IC50 | J Med Chem (2017) 60: 47-65 [PMID:27644332] |
| phosphatidylinositol-4-phosphate 3-kinase catalytic subunit type 2 alpha/Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing subunit alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075102] [GtoPdb: 2150] [UniProtKB: O00443] | ||||||||
| ChEMBL | Inhibition of human PI3KC2alpha by non-radiometric ADP-Glo assay | B | 4 | pIC50 | >100000 | nM | IC50 | ACS Med Chem Lett (2015) 6: 3-6 [PMID:25589915] |
| ChEMBL | Inhibition of human recombinant PI3KC2alpha using substrate PI incubated for 1 hr by Adapta kinase assay | B | 4 | pIC50 | >100000 | nM | IC50 | J Med Chem (2017) 60: 47-65 [PMID:27644332] |
| phosphoinositide-3-kinase regulatory subunit 1/phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha/PI3-kinase p110-alpha/p85-alpha in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2111367] [GtoPdb: 2503, 2153] [UniProtKB: P27986, P42336] | ||||||||
| GtoPdb | - | - | 7.8 | pIC50 | 16 | nM | IC50 | Medchemcomm (2012) 3: 1337-1355 |
| ChEMBL | Inhibition of recombinant human full length His-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system coexpressing PIK3R1 by TR-FRET assay | B | 8.3 | pIC50 | 5 | nM | IC50 | ACS Med Chem Lett (2017) 8: 808-813 [PMID:28835793] |
| ChEMBL | Inhibition of recombinant full length PI3K p85alpha/p110alpha H1047R mutant (unknown origin) expressed in baculovirus infected sf9 cells using PIP2 as substrate preincubated for 10 mins followed by ATP addition and measured after 45 mins by HTRF assay | B | 7.3 | pEC50 | 50 | nM | EC50 | Eur J Med Chem (2018) 157: 37-49 [PMID:30071408] |
| ChEMBL | Inhibition of recombinant full length PI3K p110alpha/p85alpha (unknown origin) expressed in baculovirus infected sf9 cells using PIP2 as substrate preincubated for 10 mins followed by ATP addition and measured after 45 mins by HTRF assay | B | 7.3 | pEC50 | 50 | nM | EC50 | Eur J Med Chem (2018) 157: 37-49 [PMID:30071408] |
| phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha/PI3-kinase p110-alpha subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4005] [GtoPdb: 2153] [UniProtKB: P42336] | ||||||||
| ChEMBL | Inhibition of PIK3CA-mediated cell signaling in PTEN-deficient human U87MG cells assessed as inhibition of insulin-induced pAkt/PKB phosphorylation at Ser473 treated for 15 mins before insulin challenge measured after 5 mins by immunoblotting | B | 6.95 | pIC50 | 111 | nM | IC50 | J Med Chem (2011) 54: 7105-7126 [PMID:21882832] |
| ChEMBL | Inhibition of PIK3CA-mediated cell signaling in PTEN-deficient human U87MG cells assessed as inhibition of insulin-induced pAkt/PKB phosphorylation at Thr308 treated for 15 mins before insulin challenge measured after 5 mins by immunoblotting | B | 7.49 | pIC50 | 32 | nM | IC50 | J Med Chem (2011) 54: 7105-7126 [PMID:21882832] |
| ChEMBL | Inhibition of PI3Kalpha | B | 7.59 | pIC50 | 26 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 1009-1013 [PMID:22197143] |
| ChEMBL | Inhibition of human His-tagged PI3K p110alpha H1047R mutant after 2 hrs by HTRF assay | B | 7.6 | pIC50 | 25 | nM | IC50 | J Med Chem (2011) 54: 7105-7126 [PMID:21882832] |
| ChEMBL | Inhibition of p110alpha | B | 7.8 | pIC50 | 16 | nM | IC50 | Nat Chem Biol (2010) 6: 117-124 [PMID:20081827] |
| ChEMBL | Inhibition of recombinant PI3Kalpha by HTRF assay | B | 7.8 | pIC50 | 16 | nM | IC50 | Bioorg Med Chem (2012) 20: 1947-1951 [PMID:22336246] |
| ChEMBL | Inhibition of PI3Kalpha (unknown origin) | B | 7.8 | pIC50 | 16 | nM | IC50 | Medchemcomm (2012) 3: 1337-1355 |
| ChEMBL | Inhibition of PI3K p110alpha (unknown origin) | B | 7.8 | pIC50 | 16 | nM | IC50 | J Med Chem (2015) 58: 41-71 [PMID:25387153] |
| ChEMBL | Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr by Kinase-Glo luminescent kinase assay | B | 7.8 | pIC50 | 16 | nM | IC50 | Eur J Med Chem (2018) 151: 237-247 [PMID:29625382] |
| ChEMBL | Competitive inhibition of PI3Kalpha (unknown origin) | B | 7.8 | pIC50 | 16 | nM | IC50 | Eur J Med Chem (2019) 183: 111718-111718 [PMID:31581005] |
| GtoPdb | - | - | 7.8 | pIC50 | 16 | nM | IC50 | Medchemcomm (2012) 3: 1337-1355 |
| ChEMBL | Inhibition of human PI3K p110alpha helical domain E545K mutant after 2 hrs by HTRF assay | B | 7.92 | pIC50 | 12 | nM | IC50 | J Med Chem (2011) 54: 7105-7126 [PMID:21882832] |
| ChEMBL | Inhibition of human His-tagged PI3K p110alpha after 2 hrs by HTRF assay | B | 8.05 | pIC50 | 8.9 | nM | IC50 | J Med Chem (2011) 54: 7105-7126 [PMID:21882832] |
| ChEMBL | Inhibition of PI3K-alpha (unknown origin) assessed as decrease in ATP consumption using phosphatidylinositol bisphosphate and 10 uM ATP as substrate measured after 60 mins by luminescence assay | B | 8.22 | pIC50 | 6 | nM | IC50 | ACS Med Chem Lett (2013) 4: 206-210 [PMID:23795239] |
| ChEMBL | Inhibition of PI3Kalpha (unknown origin) expressed in SF21 cells using phosphatidylinositol as substrate after 60 mins by Kinase-Glo assay | B | 8.22 | pIC50 | 6 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 802-805 [PMID:23265896] |
| ChEMBL | Inhibition of human PI3Kalpha by TR-FRET based Adapta assay | B | 8.3 | pIC50 | 5 | nM | IC50 | Eur J Med Chem (2022) 229: 113996-113996 [PMID:34802837] |
| ChEMBL | Inhibition of PI3Kalpha H1047R mutant (unknown origin) by HTRF assay | B | 7.3 | pEC50 | 50 | nM | EC50 | Eur J Med Chem (2018) 158: 707-719 [PMID:30245395] |
| ChEMBL | Inhibition of wild type PI3Kalpha (unknown origin) after 40 mins by kinase-Glo reagent based luminescence assay | B | 7.3 | pEC50 | 50 | nM | EC50 | Eur J Med Chem (2018) 158: 707-719 [PMID:30245395] |
| phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha/PI3-kinase p110-alpha subunit in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2499] [GtoPdb: 2153] [UniProtKB: P42337] | ||||||||
| ChEMBL | Inhibition of mouse recombinant PI3K p110alpha expressed in Sf21 insect cells using phosphatidylinositol as substrate after 1 hr by phosphoimaging | B | 8.07 | pIC50 | 8.6 | nM | IC50 | J Med Chem (2011) 54: 7105-7126 [PMID:21882832] |
| phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit beta/PI3-kinase p110-beta subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3145] [GtoPdb: 2154] [UniProtKB: P42338] | ||||||||
| ChEMBL | Inhibition of human His-tagged PI3K p110beta after 2 hrs by HTRF assay | B | 7.24 | pIC50 | 58 | nM | IC50 | J Med Chem (2011) 54: 7105-7126 [PMID:21882832] |
| ChEMBL | Inhibition of p110beta | B | 7.36 | pIC50 | 44 | nM | IC50 | Nat Chem Biol (2010) 6: 117-124 [PMID:20081827] |
| ChEMBL | Inhibition of recombinant PI3Kbeta HTRF assay | B | 7.36 | pIC50 | 44 | nM | IC50 | Bioorg Med Chem (2012) 20: 1947-1951 [PMID:22336246] |
| ChEMBL | Inhibition of PI3Kbeta (unknown origin) | B | 7.36 | pIC50 | 44 | nM | IC50 | Medchemcomm (2012) 3: 1337-1355 |
| ChEMBL | Inhibition of PI3K p110beta (unknown origin) | B | 7.36 | pIC50 | 44 | nM | IC50 | J Med Chem (2015) 58: 41-71 [PMID:25387153] |
| ChEMBL | Competitive inhibition of PI3Kbeta (unknown origin) | B | 7.36 | pIC50 | 44 | nM | IC50 | Eur J Med Chem (2019) 183: 111718-111718 [PMID:31581005] |
| GtoPdb | - | - | 7.77 | pIC50 | 17 | nM | IC50 |
J Natl Cancer Inst (2006) 98: 545-56 [PMID:16622124]; Medchemcomm (2012) 3: 1337-1355 |
| ChEMBL | Inhibition of PI3Kbeta (unknown origin) by TR-FRET assay | B | 7.82 | pIC50 | 15.2 | nM | IC50 | ACS Med Chem Lett (2017) 8: 808-813 [PMID:28835793] |
| ChEMBL | Inhibition of human PI3Kbeta by TR-FRET based Adapta assay | B | 7.82 | pIC50 | 15.2 | nM | IC50 | Eur J Med Chem (2022) 229: 113996-113996 [PMID:34802837] |
| ChEMBL | Inhibition of PI3Kbeta (unknown origin) expressed in Escherichia coli-infected fall armyworm sf21 cells co-expressing p85 by kinase-glo luminescence assay | B | 8.22 | pIC50 | 6 | nM | IC50 | Eur J Med Chem (2016) 122: 339-351 [PMID:27387421] |
| ChEMBL | Inhibition of PI3K-beta (unknown origin) assessed as decrease in ATP consumption using phosphatidylinositol bisphosphate and 10 uM ATP as substrate measured after 60 mins by luminescence assay | B | 8.22 | pIC50 | 6 | nM | IC50 | ACS Med Chem Lett (2013) 4: 206-210 [PMID:23795239] |
| ChEMBL | Inhibition of PI3Kbeta (unknown origin) expressed in SF21 cells using phosphatidylinositol as substrate after 60 mins by Kinase-Glo assay | B | 8.22 | pIC50 | 6 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 802-805 [PMID:23265896] |
| ChEMBL | Inhibition of human recombinant PI3K p110beta expressed in Sf21 insect cells using phosphatidylinositol as substrate after 1 hr by phosphoimaging | B | 8.32 | pIC50 | 4.8 | nM | IC50 | J Med Chem (2011) 54: 7105-7126 [PMID:21882832] |
| ChEMBL | Inhibition of PI3Kbeta (unknown origin) after 40 mins by kinase-Glo reagent based luminescence assay | B | 7.36 | pEC50 | 44 | nM | EC50 | Eur J Med Chem (2018) 158: 707-719 [PMID:30245395] |
| phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit delta/phosphoinositide-3-kinase regulatory subunit 1/PI3-kinase p110-delta/p85-alpha in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2111432] [GtoPdb: 2155, 2503] [UniProtKB: O00329, P27986] | ||||||||
| ChEMBL | Inhibition of his-tagged human recombinant PIK3CD/PIK3R1 using substrate PI incubated for 1 hr by Adapta kinase assay | B | 8.22 | pIC50 | 6 | nM | IC50 | J Med Chem (2017) 60: 47-65 [PMID:27644332] |
| GtoPdb | - | - | 8.3 | pIC50 | 5 | nM | IC50 |
J Natl Cancer Inst (2006) 98: 545-56 [PMID:16622124]; Medchemcomm (2012) 3: 1337-1355 |
| ChEMBL | Inhibition of recombinant human full length His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system coexpressing PIK3R1 by TR-FRET assay | B | 8.41 | pIC50 | 3.9 | nM | IC50 | ACS Med Chem Lett (2017) 8: 808-813 [PMID:28835793] |
| phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit delta/PI3-kinase p110-delta subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3130] [GtoPdb: 2155] [UniProtKB: O00329] | ||||||||
| ChEMBL | Inhibition of PI3K p110delta (unknown origin) | B | 7.31 | pIC50 | 49 | nM | IC50 | J Med Chem (2015) 58: 41-71 [PMID:25387153] |
| ChEMBL | Inhibition of human His-tagged PI3K p110delta after 2 hrs by HTRF assay | B | 7.42 | pIC50 | 38 | nM | IC50 | J Med Chem (2011) 54: 7105-7126 [PMID:21882832] |
| ChEMBL | Inhibition of human PI3KCdelta by non-radiometric ADP-Glo assay | B | 8.22 | pIC50 | 6 | nM | IC50 | ACS Med Chem Lett (2015) 6: 3-6 [PMID:25589915] |
| GtoPdb | - | - | 8.3 | pIC50 | 5 | nM | IC50 |
J Natl Cancer Inst (2006) 98: 545-56 [PMID:16622124]; Medchemcomm (2012) 3: 1337-1355 |
| ChEMBL | Competitive inhibition of PI3Kdelta (unknown origin) | B | 8.3 | pIC50 | 5 | nM | IC50 | Eur J Med Chem (2019) 183: 111718-111718 [PMID:31581005] |
| ChEMBL | Inhibition of PI3Kdelta (unknown origin) | B | 8.3 | pIC50 | 5 | nM | IC50 | Medchemcomm (2012) 3: 1337-1355 |
| ChEMBL | Inhibition of recombinant PI3Kdelta HTRF assay | B | 8.3 | pIC50 | 5 | nM | IC50 | Bioorg Med Chem (2012) 20: 1947-1951 [PMID:22336246] |
| ChEMBL | Inhibition of PI3Kdelta | B | 8.34 | pIC50 | 4.6 | nM | IC50 | J Med Chem (2012) 55: 8559-8581 [PMID:22924688] |
| ChEMBL | Inhibition of p110delta | B | 8.34 | pIC50 | 4.6 | nM | IC50 | Nat Chem Biol (2010) 6: 117-124 [PMID:20081827] |
| ChEMBL | Inhibition of human PI3Kdelta by TR-FRET based Adapta assay | B | 8.41 | pIC50 | 3.9 | nM | IC50 | Eur J Med Chem (2022) 229: 113996-113996 [PMID:34802837] |
| ChEMBL | Inhibition of PI3Kdelta (unknown origin) expressed in SF21 cells using phosphatidylinositol as substrate after 60 mins by Kinase-Glo assay | B | 8.52 | pIC50 | 3 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 802-805 [PMID:23265896] |
| ChEMBL | Inhibition of PI3K-delta (unknown origin) assessed as decrease in ATP consumption using phosphatidylinositol bisphosphate and 10 uM ATP as substrate measured after 60 mins by luminescence assay | B | 8.52 | pIC50 | 3 | nM | IC50 | ACS Med Chem Lett (2013) 4: 206-210 [PMID:23795239] |
| ChEMBL | Inhibition of PI3Kdelta (unknown origin) after 40 mins by kinase-Glo reagent based luminescence assay | B | 8 | pEC50 | 10 | nM | EC50 | Eur J Med Chem (2018) 158: 707-719 [PMID:30245395] |
| phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma/PI3-kinase p110-gamma subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3267] [GtoPdb: 2156] [UniProtKB: P48736] | ||||||||
| ChEMBL | Inhibition of human His-tagged PI3K p110gamma after 2 hrs by HTRF assay | B | 7.08 | pIC50 | 83 | nM | IC50 | J Med Chem (2011) 54: 7105-7126 [PMID:21882832] |
| ChEMBL | Inhibition of recombinant PI3Kgamma HTRF assay | B | 7.31 | pIC50 | 49 | nM | IC50 | Bioorg Med Chem (2012) 20: 1947-1951 [PMID:22336246] |
| ChEMBL | Inhibition of p110gamma | B | 7.31 | pIC50 | 49 | nM | IC50 | Nat Chem Biol (2010) 6: 117-124 [PMID:20081827] |
| ChEMBL | Inhibition of PI3Kgamma (unknown origin) | B | 7.31 | pIC50 | 49 | nM | IC50 | Medchemcomm (2012) 3: 1337-1355 |
| ChEMBL | Competitive inhibition of PI3Kgamma (unknown origin) | B | 7.31 | pIC50 | 49 | nM | IC50 | Eur J Med Chem (2019) 183: 111718-111718 [PMID:31581005] |
| GtoPdb | - | - | 7.31 | pIC50 | 49 | nM | IC50 |
J Natl Cancer Inst (2006) 98: 545-56 [PMID:16622124]; Medchemcomm (2012) 3: 1337-1355 |
| ChEMBL | Inhibition of PI3K-gamma (unknown origin) assessed as decrease in ATP consumption using phosphatidylinositol bisphosphate and 10 uM ATP as substrate measured after 60 mins by luminescence assay | B | 7.42 | pIC50 | 38 | nM | IC50 | ACS Med Chem Lett (2013) 4: 206-210 [PMID:23795239] |
| ChEMBL | Inhibition of PI3Kgamma (unknown origin) expressed in SF21 cells using phosphatidylinositol as substrate after 60 mins by Kinase-Glo assay | B | 7.42 | pIC50 | 38 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 802-805 [PMID:23265896] |
| ChEMBL | Inhibition of human PI3Kgamma by TR-FRET based Adapta assay | B | 7.68 | pIC50 | 20.8 | nM | IC50 | Eur J Med Chem (2022) 229: 113996-113996 [PMID:34802837] |
| ChEMBL | Inhibition of recombinant human full length His-tagged PI3K p110gamma expressed in baculovirus expression system by TR-FRET assay | B | 7.68 | pIC50 | 20.8 | nM | IC50 | ACS Med Chem Lett (2017) 8: 808-813 [PMID:28835793] |
| ChEMBL | Inhibition of PI3K p110gamma (unknown origin) | B | 8.3 | pIC50 | 5 | nM | IC50 | J Med Chem (2015) 58: 41-71 [PMID:25387153] |
| ChEMBL | Inhibition of PI3Kgamma (unknown origin) after 40 mins by kinase-Glo reagent based luminescence assay | B | 7.29 | pEC50 | 51 | nM | EC50 | Eur J Med Chem (2018) 158: 707-719 [PMID:30245395] |
| phosphoinositide-3-kinase regulatory subunit 1/phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma/PIK3CG/PIK3R1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4296106] [GtoPdb: 2503, 2156] [UniProtKB: P27986, P48736] | ||||||||
| GtoPdb | - | - | 7.31 | pIC50 | 49 | nM | IC50 |
J Natl Cancer Inst (2006) 98: 545-56 [PMID:16622124]; Medchemcomm (2012) 3: 1337-1355 |
| ChEMBL | Inhibition of PI3K p110gamma/p85alpha (unknown origin) assessed as reduction in PIP2 to PIP3 conversion by HTRF assay | B | 8.34 | pIC50 | 4.6 | nM | IC50 | Eur J Med Chem (2017) 142: 523-549 [PMID:29046238] |
| mechanistic target of rapamycin kinase/Serine/threonine-protein kinase mTOR in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2842] [GtoPdb: 2109] [UniProtKB: P42345] | ||||||||
| ChEMBL | Inhibition of human mTOR by non-radiometric ADP-Glo assay | B | 6.43 | pIC50 | 370 | nM | IC50 | ACS Med Chem Lett (2015) 6: 3-6 [PMID:25589915] |
| ChEMBL | Inhibition of human recombinant mTOR using substrate PI incubated for 1 hr by Adapta kinase assay | B | 6.43 | pIC50 | 370 | nM | IC50 | J Med Chem (2017) 60: 47-65 [PMID:27644332] |
| ChEMBL | Inhibition of mTOR | B | 6.46 | pIC50 | 350 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 1009-1013 [PMID:22197143] |
| mechanistic target of rapamycin kinase/Serine/threonine-protein kinase mTOR in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075134] [GtoPdb: 2109] [UniProtKB: P42346] | ||||||||
| ChEMBL | Inhibition of rat brain mTOR assessed as p70S6K-GST protein phosphorylation after 30 mins by ELISA | B | 7.35 | pIC50 | 45 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 2644-2647 [PMID:20227881] |
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]
