apabetalone [Ligand Id: 7034] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL2393130 (Apabetalone, RVX-000222, RVX000222, RVX-208)
  • bromodomain containing 2/Bromodomain-containing protein 2 in Human [ChEMBL: CHEMBL1293289] [GtoPdb: 1944] [UniProtKB: P25440]
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  • bromodomain containing 3/Bromodomain-containing protein 3 in Human [ChEMBL: CHEMBL1795186] [GtoPdb: 2725] [UniProtKB: Q15059]
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  • bromodomain containing 4/Bromodomain-containing protein 4 in Human [ChEMBL: CHEMBL1163125] [GtoPdb: 1945] [UniProtKB: O60885]
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  • bromodomain testis associated/Bromodomain testis-specific protein in Human [ChEMBL: CHEMBL1795185] [GtoPdb: 2729] [UniProtKB: Q58F21]
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  • CREB binding protein/CREB-binding protein in Human [ChEMBL: CHEMBL5747] [GtoPdb: 2734] [UniProtKB: Q92793]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
bromodomain containing 2/Bromodomain-containing protein 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293289] [GtoPdb: 1944] [UniProtKB: P25440]
ChEMBL Binding affinity to human BRD2 bromodomain 1 by isothermal titration calorimetry B 4.77 pKd 16900 nM Kd J Med Chem (2016) 59: 1492-1500 [PMID:26367539]
ChEMBL Inhibition of human 6x-His-tagged BRD2 bromodomain 1 expressed in Escherichia coli B 5.24 pKd 5800 nM Kd J Med Chem (2018) 61: 9316-9334 [PMID:30253095]
ChEMBL Binding affinity to human BRD2 bromodomain 1 expressed in Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry B 5.24 pKd 5800 nM Kd J Med Chem (2016) 59: 1492-1500 [PMID:26367539]
ChEMBL Binding affinity to recombinant BRD2 BD1 (unknown origin) incubated for 1 hr by TR-FRET assay B 5.24 pKd 5780 nM Kd J Med Chem (2020) 63: 5242-5256 [PMID:32255647]
ChEMBL Inhibition of recombinant human His6-tagged BRD2 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells B 5.24 pKd 5780 nM Kd J Med Chem (2017) 60: 4533-4558 [PMID:28195723]
ChEMBL Binding affinity to recombinant BRD2 BD2 (unknown origin) incubated for 1 hr by TR-FRET assay B 6.6 pKd 251 nM Kd J Med Chem (2020) 63: 5242-5256 [PMID:32255647]
ChEMBL Inhibition of recombinant human His6-tagged BRD2 bromodomain 2 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells B 6.6 pKd 251 nM Kd J Med Chem (2017) 60: 4533-4558 [PMID:28195723]
ChEMBL Inhibition of human 6x-His-tagged BRD2 bromodomain 2 expressed in Escherichia coli B 6.6 pKd 250 nM Kd J Med Chem (2018) 61: 9316-9334 [PMID:30253095]
ChEMBL Binding affinity to human BRD2 bromodomain 2 expressed in Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry B 6.6 pKd 250 nM Kd J Med Chem (2016) 59: 1492-1500 [PMID:26367539]
ChEMBL Binding affinity to human BRD2 bromodomain 2 by isothermal titration calorimetry B 6.69 pKd 206 nM Kd J Med Chem (2016) 59: 1492-1500 [PMID:26367539]
ChEMBL Inhibition of BRD2 BD1 (unknown origin) after 1 hr by TR-FRET assay B 5.24 pIC50 5780 nM IC50 Eur J Med Chem (2018) 151: 450-461 [PMID:29649741]
ChEMBL Binding affinity BRD2 BD1 (unknown origin) incubated for 1 hr by TR-FRET assay B 5.24 pIC50 5697 nM IC50 J Med Chem (2022) 65: 2388-2408 [PMID:34982556]
ChEMBL Inhibition of BRD2 BD2 (unknown origin) after 1 hr by TR-FRET assay B 6.6 pIC50 251 nM IC50 Eur J Med Chem (2018) 151: 450-461 [PMID:29649741]
ChEMBL Binding affinity BRD2 BD2 (unknown origin) incubated for 1 hr by TR-FRET assay B 6.61 pIC50 246 nM IC50 J Med Chem (2022) 65: 2388-2408 [PMID:34982556]
GtoPdb Measured using a TR-FRET assay to evaluate binding to BD2 of BRD2. - 7.05 pIC50 90 nM IC50 PLoS ONE (2013) 8: e83190 [PMID:24391744]
bromodomain containing 3/Bromodomain-containing protein 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795186] [GtoPdb: 2725] [UniProtKB: Q15059]
ChEMBL Inhibition of recombinant human His6-tagged BRD3 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells B 5.39 pKd 4065 nM Kd J Med Chem (2017) 60: 4533-4558 [PMID:28195723]
ChEMBL Binding affinity to human BRD3 BD2 by ITC method B 5.4 pKd 4000 nM Kd J Med Chem (2018) 61: 4317-4334 [PMID:29656650]
ChEMBL Inhibition of human 6x-His-tagged BRD3 bromodomain 1 expressed in Escherichia coli B 5.4 pKd 4000 nM Kd J Med Chem (2018) 61: 9316-9334 [PMID:30253095]
ChEMBL Binding affinity to recombinant BRD3 BD1 (unknown origin) incubated for 1 hr by TR-FRET assay B 5.4 pKd 3962 nM Kd J Med Chem (2020) 63: 5242-5256 [PMID:32255647]
ChEMBL Binding affinity to recombinant BRD3 BD2 (unknown origin) incubated for 1 hr by TR-FRET assay B 6.69 pKd 203 nM Kd J Med Chem (2020) 63: 5242-5256 [PMID:32255647]
ChEMBL Inhibition of recombinant human His6-tagged BRD3 bromodomain 2 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells B 6.71 pKd 195 nM Kd J Med Chem (2017) 60: 4533-4558 [PMID:28195723]
ChEMBL Inhibition of human 6x-His-tagged BRD3 bromodomain 2 expressed in Escherichia coli B 6.72 pKd 190 nM Kd J Med Chem (2018) 61: 9316-9334 [PMID:30253095]
GtoPdb AlphaScreen data for bromodomain 1 of BRD3. - 4.06 pIC50 87000 nM IC50 Proc Natl Acad Sci USA (2013) 110: 19754-9 [PMID:24248379]
ChEMBL Displacement of tetra-acetylated histone H4 peptide from recombinant human His-tagged BRD3 BD1 expressed in bacterial expression system by alphascreen assay B 4.06 pIC50 87000 nM IC50 J Med Chem (2019) 62: 11080-11107 [PMID:31789032]
GtoPdb AlphaScreen data assessing the bromodomain 2 domain of BRD3. - 5.31 pIC50 4900 nM IC50 Proc Natl Acad Sci USA (2013) 110: 19754-9 [PMID:24248379]
ChEMBL Inhibition of BRD3 BD1 (unknown origin) after 1 hr by TR-FRET assay B 5.4 pIC50 3962 nM IC50 Eur J Med Chem (2018) 151: 450-461 [PMID:29649741]
ChEMBL Binding affinity BRD3 BD1 (unknown origin) incubated for 1 hr by TR-FRET assay B 5.41 pIC50 3878 nM IC50 J Med Chem (2022) 65: 2388-2408 [PMID:34982556]
ChEMBL Displacement of tetra-acetylated histone H4 peptide from recombinant human His-tagged BRD3 BD2 expressed in bacterial expression system by alphascreen assay B 6.29 pIC50 510 nM IC50 J Med Chem (2019) 62: 11080-11107 [PMID:31789032]
ChEMBL Inhibition of human His-tagged BRD3 bromodomain 2 using biotin-H4K5acK8acK12acK16ac as substrate incubated for 30 mins by alphascreen assay B 6.29 pIC50 510 nM IC50 J Med Chem (2016) 59: 1565-1579 [PMID:26731490]
GtoPdb Measured using a TR-FRET assay to evaluate binding to BD2 of BRD3. - 6.55 pIC50 280 nM IC50 PLoS ONE (2013) 8: e83190 [PMID:24391744]
ChEMBL Binding affinity BRD3 BD2 (unknown origin) incubated for 1 hr by TR-FRET assay B 6.66 pIC50 217 nM IC50 J Med Chem (2022) 65: 2388-2408 [PMID:34982556]
ChEMBL Inhibition of BRD3 BD2 (unknown origin) after 1 hr by TR-FRET assay B 6.69 pIC50 203 nM IC50 Eur J Med Chem (2018) 151: 450-461 [PMID:29649741]
bromodomain containing 4/Bromodomain-containing protein 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1163125] [GtoPdb: 1945] [UniProtKB: O60885]
ChEMBL Binding affinity to human BRD4 bromodomain 1 by isothermal titration calorimetry B 5.05 pKd 8930 nM Kd J Med Chem (2016) 59: 1492-1500 [PMID:26367539]
ChEMBL Inhibition of BRD4-BD1 (unknown origin) assessed as dissociation constant by ITC method B 5.39 pKd 4100 nM Kd J Med Chem (2022) 65: 5660-5674 [PMID:35348328]
ChEMBL Binding affinity to recombinant BRD4 BD1 (unknown origin) incubated for 1 hr by TR-FRET assay B 5.94 pKd 1142 nM Kd J Med Chem (2020) 63: 5242-5256 [PMID:32255647]
ChEMBL Inhibition of recombinant human His6-tagged BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins followed by H4K5acK8acK12acK16ac peptide substrate addition after 30 mins by alphascreen assay B 5.94 pKd 1142 nM Kd J Med Chem (2017) 60: 4533-4558 [PMID:28195723]
ChEMBL Binding affinity to human BRD4 BD1 by isothermal calorimetry analysis B 5.94 pKd 1142 nM Kd J Med Chem (2020) 63: 5585-5623 [PMID:32324999]
ChEMBL Binding affinity to BRD4 bromodomain 1 (unknown origin) by isothermal titration calorimetric analysis B 5.96 pKd 1100 nM Kd J Med Chem (2016) 59: 1271-1298 [PMID:26572217]
ChEMBL Binding affinity to human BRD4 bromodomain 1 expressed in Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry B 5.96 pKd 1100 nM Kd J Med Chem (2016) 59: 1492-1500 [PMID:26367539]
ChEMBL Inhibition of human 6x-His-tagged BRD4 bromodomain 1 expressed in Escherichia coli B 5.96 pKd 1100 nM Kd J Med Chem (2018) 61: 9316-9334 [PMID:30253095]
ChEMBL Binding affinity to human BRD4 bromodomain 2 by isothermal titration calorimetry B 6.52 pKd 303 nM Kd J Med Chem (2016) 59: 1492-1500 [PMID:26367539]
ChEMBL Inhibition of BRD4-BD2 (unknown origin) assessed as dissociation constant by ITC method B 6.7 pKd 200 nM Kd J Med Chem (2022) 65: 5660-5674 [PMID:35348328]
ChEMBL Binding affinity to human BRD4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry B 6.85 pKd 140 nM Kd J Med Chem (2016) 59: 1492-1500 [PMID:26367539]
ChEMBL Binding affinity to BRD4 bromodomain 2 (unknown origin) by isothermal titration calorimetric analysis B 6.85 pKd 140 nM Kd J Med Chem (2016) 59: 1271-1298 [PMID:26572217]
ChEMBL Inhibition of recombinant human His6-tagged BRD4 bromodomain 2 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins followed by HSGRGK(Ac)GGK(Ac)GLGK(Ac)GGAK(Ac)RHRK(Biotin)-OH peptide substrate addition after 30 mins by alphascreen assay B 6.87 pKd 135 nM Kd J Med Chem (2017) 60: 4533-4558 [PMID:28195723]
ChEMBL Binding affinity to N-terminal His-tagged BRD4 BD2 (unknown origin) by isothermal calorimetric titration assay B 6.87 pKd 135 nM Kd J Med Chem (2020) 63: 9070-9092 [PMID:32691591]
ChEMBL Binding affinity to recombinant BRD4 BD2 (unknown origin) incubated for 1 hr by TR-FRET assay B 6.87 pKd 135 nM Kd J Med Chem (2020) 63: 5242-5256 [PMID:32255647]
ChEMBL Binding affinity to human BRD4 BD2 by isothermal calorimetry analysis B 6.87 pKd 135 nM Kd J Med Chem (2020) 63: 5585-5623 [PMID:32324999]
ChEMBL Inhibition of human 6x-His-tagged BRD4 bromodomain 2 expressed in Escherichia coli B 6.89 pKd 130 nM Kd J Med Chem (2018) 61: 9316-9334 [PMID:30253095]
ChEMBL Inhibition of human His-tagged BRD4 BD1 (49 to 170 residues) using H-SGRGK(Ac)GGK(Ac)GLGK-(Ac)GGAK(Ac)RHRK(Biotin)-OH as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by TR-FRET assay B 5 pIC50 >10000 nM IC50 Eur J Med Chem (2016) 121: 294-299 [PMID:27266999]
ChEMBL Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incubated for 30 mins followed by biotinylated histone peptide H4 addition measured after 30 mins by AlphaScreen assay B 5 pIC50 >10000 nM IC50 J Med Chem (2017) 60: 9990-10012 [PMID:29172540]
ChEMBL Displacement of (+)-JQ1 from 6H-Thr BRD4 Y390A mutant BD1 (unknown origin) after 30 mins by TR-FRET assay B 5.2 pIC50 6309.57 nM IC50 J Med Chem (2018) 61: 4317-4334 [PMID:29656650]
ChEMBL Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced IL-8 RNA expression preincubated for 24 hrs followed by poly(I:C) addition and measured after 4 hrs by SYBR green dye-based qRT-PCR analysis B 5.41 pIC50 3850 nM IC50 Eur J Med Chem (2018) 151: 450-461 [PMID:29649741]
ChEMBL Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced grobeta RNA expression preincubated for 24 hrs followed by poly(I:C) addition and measured after 4 hrs by SYBR green dye-based qRT-PCR analysis B 5.43 pIC50 3730 nM IC50 Eur J Med Chem (2018) 151: 450-461 [PMID:29649741]
ChEMBL Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible IL-6 gene expression pre-incubated for 24 hrs before poly(I:C) stimulation for 4 hrs by qRT-PCR analysis B 5.48 pIC50 3290 nM IC50 J Med Chem (2020) 63: 5242-5256 [PMID:32255647]
ChEMBL Inhibition of biotinylated H4 K5,8,12,16Ac peptide binding to GST-tagged BRD4 bromodomain1 (unknown origin) measured after 60 mins by AlphaScreen assay B 5.51 pIC50 3100 nM IC50 Bioorg Med Chem (2019) 27: 1871-1881 [PMID:30926312]
ChEMBL Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced ISG56 RNA expression preincubated for 24 hrs followed by poly(I:C) addition and measured after 4 hrs by SYBR green dye-based qRT-PCR analysis B 5.56 pIC50 2740 nM IC50 Eur J Med Chem (2018) 151: 450-461 [PMID:29649741]
ChEMBL Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced ISG54 RNA expression preincubated for 24 hrs followed by poly(I:C) addition and measured after 4 hrs by SYBR green dye-based qRT-PCR analysis B 5.58 pIC50 2630 nM IC50 Eur J Med Chem (2018) 151: 450-461 [PMID:29649741]
ChEMBL Inhibition of GST-tagged BRD4 bromodomain (unknown origin) using biotinylated histone H4KAc peptide (1 to 21 residues) as substrate by HTRF assay B 5.61 pIC50 2450 nM IC50 J Med Chem (2020) 63: 3678-3700 [PMID:32153186]
ChEMBL Inhibition of human BRD4 bromo domain 1 B 5.7 pIC50 1985 nM IC50 Bioorg Med Chem Lett (2017) 27: 4051-4055 [PMID:28765013]
ChEMBL Displacement of tetra-acetylated histone H4 peptide from recombinant human N-terminal His-tagged BRD4 BD1 incubated for 2 hrs by TR-FRET assay B 5.74 pIC50 1800 nM IC50 J Med Chem (2019) 62: 11080-11107 [PMID:31789032]
ChEMBL Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible CIG5 gene expression pre-incubated for 24 hrs before poly(I:C) stimulation for 4 hrs by qRT-PCR analysis B 5.78 pIC50 1660 nM IC50 J Med Chem (2020) 63: 5242-5256 [PMID:32255647]
ChEMBL Displacement of (+)-JQ1 from 6H-Thr BRD4 Y97A mutant BD2 (unknown origin) after 30 mins by TR-FRET assay B 5.8 pIC50 1584.89 nM IC50 J Med Chem (2018) 61: 4317-4334 [PMID:29656650]
ChEMBL Binding affinity recombinant human BRD4 BD1 (42 to 168 residues) expressed in Escherichia coli BL21(DE3) incubated for 1 hr by TR-FRET assay B 5.94 pIC50 1151 nM IC50 J Med Chem (2022) 65: 2388-2408 [PMID:34982556]
ChEMBL Inhibition of BRD4 BD1 (unknown origin) after 1 hr by TR-FRET assay B 5.94 pIC50 1142 nM IC50 Eur J Med Chem (2018) 151: 450-461 [PMID:29649741]
ChEMBL Inhibition of BRD4 bromodomain-1 (unknown origin) by europium based LANCE TR-FRET assay B 6.19 pIC50 645 nM IC50 Bioorg Med Chem (2015) 23: 953-959 [PMID:25678016]
ChEMBL Inhibition of human BRD4 BD2 (342 to 460 residues) at 30 uM preincubated for 30 mins followed by substrate addition measured after 30 mins by TR-FRET assay B 6.21 pIC50 610 nM IC50 Eur J Med Chem (2016) 121: 294-299 [PMID:27266999]
ChEMBL Inhibition of recombinant full length human N-terminal His6-tagged BRD4 (2 to 1362 residues) expressed in baculovirus infected insect cells using histone H4 peptide as substrate by alpha screen assay B 6.29 pIC50 510 nM IC50 Eur J Med Chem (2019) 163: 281-294 [PMID:30529546]
ChEMBL Inhibition of human recombinant N-terminal 6his-tagged BRD4 bromodomain 2 expressed in Escherichia coli BL21(DE3) using using H4 peptide as substrate by alphascreen assay B 6.29 pIC50 510 nM IC50 Bioorg Med Chem Lett (2019) 29: 126577-126577 [PMID:31421967]
ChEMBL Inhibition of human BRD4 bromodomain2 by Alphascreen assay B 6.29 pIC50 510 nM IC50 Bioorg Med Chem Lett (2017) 27: 4051-4055 [PMID:28765013]
ChEMBL Inhibition of BRD4 BD2 (unknown origin) after 1 hr by TR-FRET assay B 6.87 pIC50 135 nM IC50 Eur J Med Chem (2018) 151: 450-461 [PMID:29649741]
ChEMBL Binding affinity human BRD4 BD2 incubated for 1 hr by TR-FRET assay B 6.88 pIC50 132 nM IC50 J Med Chem (2022) 65: 2388-2408 [PMID:34982556]
ChEMBL Inhibition of biotinylated H4 K5,8,12,16Ac peptide binding to GST-tagged BRD4 bromodomain2 (unknown origin) measured after 60 mins by AlphaScreen assay B 7 pIC50 100 nM IC50 Bioorg Med Chem (2019) 27: 1871-1881 [PMID:30926312]
ChEMBL Inhibition of human BRD4 bromo domain 2 B 7.17 pIC50 67 nM IC50 Bioorg Med Chem Lett (2017) 27: 4051-4055 [PMID:28765013]
ChEMBL Inhibition of BRD4 bromodomain 2 (unknown origin) incubated for 30 mins by ELISA B 7.36 pIC50 43.8 nM IC50 Bioorg Med Chem Lett (2019) 29: 2168-2172 [PMID:31257080]
ChEMBL Displacement of tetra-acetylated histone H4 peptide from recombinant human N-terminal His-tagged BRD4 BD2 incubated for 2 hrs by TR-FRET assay B 7.4 pIC50 40 nM IC50 J Med Chem (2019) 62: 11080-11107 [PMID:31789032]
GtoPdb Measured using a TR-FRET assay to evaluate binding to BD2 of BRD4. - 7.4 pIC50 40 nM IC50 PLoS ONE (2013) 8: e83190 [PMID:24391744]
bromodomain testis associated/Bromodomain testis-specific protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795185] [GtoPdb: 2729] [UniProtKB: Q58F21]
ChEMBL Binding affinity to recombinant BRDT BD1 (unknown origin) incubated for 1 hr by TR-FRET assay B 5.32 pKd 4836 nM Kd J Med Chem (2020) 63: 5242-5256 [PMID:32255647]
ChEMBL Binding affinity to recombinant BRDT BD2 (unknown origin) incubated for 1 hr by TR-FRET assay B 6.15 pKd 708 nM Kd J Med Chem (2020) 63: 5242-5256 [PMID:32255647]
ChEMBL Binding affinity BRDT BD1 (unknown origin) incubated for 1 hr by TR-FRET assay B 5.3 pIC50 5027 nM IC50 J Med Chem (2022) 65: 2388-2408 [PMID:34982556]
ChEMBL Inhibition of BRDT BD1 (unknown origin) after 1 hr by TR-FRET assay B 5.32 pIC50 4836 nM IC50 Eur J Med Chem (2018) 151: 450-461 [PMID:29649741]
ChEMBL Inhibition of BRDT BD2 (unknown origin) after 1 hr by TR-FRET assay B 6.15 pIC50 708 nM IC50 Eur J Med Chem (2018) 151: 450-461 [PMID:29649741]
ChEMBL Binding affinity BRDT BD2 (unknown origin) incubated for 1 hr by TR-FRET assay B 6.16 pIC50 696 nM IC50 J Med Chem (2022) 65: 2388-2408 [PMID:34982556]
CREB binding protein/CREB-binding protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5747] [GtoPdb: 2734] [UniProtKB: Q92793]
ChEMBL Binding affinity to recombinant CBP (unknown origin) incubated for 1 hr by TR-FRET assay B 5 pKd >10000 nM Kd J Med Chem (2020) 63: 5242-5256 [PMID:32255647]
ChEMBL Inhibition of CBP (unknown origin) after 1 hr by TR-FRET assay B 5 pIC50 >10000 nM IC50 Eur J Med Chem (2018) 151: 450-461 [PMID:29649741]
ChEMBL Binding affinity CBP (unknown origin) incubated for 1 hr by TR-FRET assay B 5 pIC50 >10000 nM IC50 J Med Chem (2022) 65: 2388-2408 [PMID:34982556]

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]