JAK inhibitor I [Ligand Id: 5992] activity data from GtoPdb and ChEMBL

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: CHEMBL21156
  • TEK receptor tyrosine kinase/Angiopoietin-1 receptor in Human [ChEMBL: CHEMBL4128] [GtoPdb: 1842] [UniProtKB: Q02763]
There should be some charts here, you may need to enable JavaScript!
  • cyclin dependent kinase 2/Cyclin-dependent kinase 2 in Human [ChEMBL: CHEMBL301] [GtoPdb: 1973] [UniProtKB: P24941]
There should be some charts here, you may need to enable JavaScript!
  • fibroblast growth factor receptor 2/Fibroblast growth factor receptor 2 in Human [ChEMBL: CHEMBL4142] [GtoPdb: 1809] [UniProtKB: P21802]
There should be some charts here, you may need to enable JavaScript!
  • inhibitor of nuclear factor kappa B kinase subunit beta/Inhibitor of nuclear factor kappa-B kinase subunit beta in Human [ChEMBL: CHEMBL1991] [GtoPdb: 2039] [UniProtKB: O14920]
There should be some charts here, you may need to enable JavaScript!
  • maternal embryonic leucine zipper kinase/Maternal embryonic leucine zipper kinase in Human [ChEMBL: CHEMBL4578] [GtoPdb: 2102] [UniProtKB: Q14680]
There should be some charts here, you may need to enable JavaScript!
  • tyrosine kinase 2/Non-receptor tyrosine-protein kinase TYK2 in Human [ChEMBL: CHEMBL3553] [GtoPdb: 2269] [UniProtKB: P29597]
There should be some charts here, you may need to enable JavaScript!
  • platelet derived growth factor receptor beta/platelet derived growth factor receptor alpha/Platelet-derived growth factor receptor in Human [ChEMBL: CHEMBL2095189] [GtoPdb: 1804, 1803] [UniProtKB: P09619, P16234]
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
  • protein kinase C alpha/Protein kinase C alpha type in Human [ChEMBL: CHEMBL299] [GtoPdb: 1482] [UniProtKB: P17252]
There should be some charts here, you may need to enable JavaScript!
  • SRC proto-oncogene, non-receptor tyrosine kinase/Proto-oncogene tyrosine-protein kinase Src in Human [ChEMBL: CHEMBL267] [GtoPdb: 2206] [UniProtKB: P12931]
There should be some charts here, you may need to enable JavaScript!
  • Raf-1 proto-oncogene, serine/threonine kinase/RAF proto-oncogene serine/threonine-protein kinase in Human [ChEMBL: CHEMBL1906] [GtoPdb: 2184] [UniProtKB: P04049]
There should be some charts here, you may need to enable JavaScript!
  • C-terminal Src kinase/Tyrosine-protein kinase CSK in Human [ChEMBL: CHEMBL2634] [GtoPdb: 1994] [UniProtKB: P41240]
There should be some charts here, you may need to enable JavaScript!
  • FYN proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase Fyn in Human [ChEMBL: CHEMBL1841] [GtoPdb: 2026] [UniProtKB: P06241]
There should be some charts here, you may need to enable JavaScript!
  • HCK proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase HCK in Human [ChEMBL: CHEMBL3234] [GtoPdb: 2032] [UniProtKB: P08631]
There should be some charts here, you may need to enable JavaScript!
  • Janus kinase 1/Tyrosine-protein kinase JAK1 in Human [ChEMBL: CHEMBL2835] [GtoPdb: 2047] [UniProtKB: P23458]
  • Janus kinase 1/Tyrosine-protein kinase JAK1 in Mouse [ChEMBL: CHEMBL2968] [GtoPdb: 2047] [UniProtKB: P52332]
There should be some charts here, you may need to enable JavaScript!
  • Janus kinase 2/Tyrosine-protein kinase JAK2 in Human [ChEMBL: CHEMBL2971] [GtoPdb: 2048] [UniProtKB: O60674]
There should be some charts here, you may need to enable JavaScript!
  • Janus kinase 3/Tyrosine-protein kinase JAK3 in Human [ChEMBL: CHEMBL2148] [GtoPdb: 2049] [UniProtKB: P52333]
There should be some charts here, you may need to enable JavaScript!
  • LCK proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase Lck in Human [ChEMBL: CHEMBL258] [GtoPdb: 2053] [UniProtKB: P06239]
There should be some charts here, you may need to enable JavaScript!
  • fms related receptor tyrosine kinase 1/Vascular endothelial growth factor receptor 1 in Human [ChEMBL: CHEMBL1868] [GtoPdb: 1812] [UniProtKB: P17948]
There should be some charts here, you may need to enable JavaScript!
  • kinase insert domain receptor/Vascular endothelial growth factor receptor 2 in Human [ChEMBL: CHEMBL279] [GtoPdb: 1813] [UniProtKB: P35968]
There should be some charts here, you may need to enable JavaScript!
  • fms related receptor tyrosine kinase 4/Vascular endothelial growth factor receptor 3 in Human [ChEMBL: CHEMBL1955] [GtoPdb: 1814] [UniProtKB: P35916]
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
TEK receptor tyrosine kinase/Angiopoietin-1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4128] [GtoPdb: 1842] [UniProtKB: Q02763]
ChEMBL Inhibition of Tek kinase B 4.62 pIC50 24000 nM IC50 Bioorg Med Chem Lett (2002) 12: 1219-1223 [PMID:11934592]
cyclin dependent kinase 2/Cyclin-dependent kinase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL301] [GtoPdb: 1973] [UniProtKB: P24941]
ChEMBL Inhibition of cyclin dependent kinase 2 B 5.48 pIC50 3300 nM IC50 Bioorg Med Chem Lett (2002) 12: 1219-1223 [PMID:11934592]
fibroblast growth factor receptor 2/Fibroblast growth factor receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4142] [GtoPdb: 1809] [UniProtKB: P21802]
ChEMBL Inhibition of Fibroblast growth factor receptor 2 B 6.03 pIC50 940 nM IC50 Bioorg Med Chem Lett (2002) 12: 1219-1223 [PMID:11934592]
inhibitor of nuclear factor kappa B kinase subunit beta/Inhibitor of nuclear factor kappa-B kinase subunit beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1991] [GtoPdb: 2039] [UniProtKB: O14920]
ChEMBL Inhibition of I-kappa-B kinase 2 B 6.52 pIC50 300 nM IC50 Bioorg Med Chem Lett (2002) 12: 1219-1223 [PMID:11934592]
ChEMBL Inhibition of IKK2 (unknown origin) B 6.52 pIC50 300 nM IC50 Bioorg Med Chem Lett (2021) 38: 127849-127849 [PMID:33609656]
maternal embryonic leucine zipper kinase/Maternal embryonic leucine zipper kinase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4578] [GtoPdb: 2102] [UniProtKB: Q14680]
ChEMBL Inhibition of His6-tagged MELK catalytic domain (1 to 340 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells using Bcl-GL as substrate measured after 30 mins in presence of [gamma32P]ATP by liquid scintillation counting method B 6.48 pIC50 330 nM IC50 Bioorg Med Chem (2017) 25: 2609-2616 [PMID:28351607]
ChEMBL MELK Inhibitor Library Screening assay: MELK and its substrate, Bcl-G were both recombinantly expressed and purified for use in screening assays (See Methods). 752 compounds from an in-house curated inhibitor library were subjected to a p81-based kinase assay. 10 nM MELK 340 and 10 μM Bcl-GL in kinase assay buffer (50 mM HEPES pH 7.5, 100 mM KCl, 0.1 mM EDTA, 0.1 mM EGTA, 10 mM MgCl2, 10 μg/mL BSA) with 10 mM DTT were added to either 10 μM or 1 μM inhibitor aliquoted into 96 well plates (final 1% DMSO). The mixture was incubated at room temperature for 30 minutes prior to initiation of the assay with 40 μM γ-32P-ATP (100-1000 CPM/pmol). 40 μL aliquots were spotted onto a p81 96 well filter plate (Unifilter, Whatman), quenched, and washed with 75 mM O-phosphoric acid 8 times, followed by a final wash with acetone for drying. Wells were then filled with scintillation fluid, sealed, and quantified using a MicroBeta TriLux liquid scintillation counter (PerkinElmer). Each inhibitor plate was assayed in duplicate, with at least 4 wells without MELK to establish background and at least 4 wells without inhibitor as a negative control. All readings were corrected for background signal based on the average counts from the wells without enzyme. Percent inhibition, defined as [100−(CPM+inhibitor/average CPM of positive controls)*100], was determined first at 10 μM inhibitor. The top 50 inhibitors were then re-screened in duplicate at 1 μM. B 6.48 pIC50 330 nM IC50 US-10981896-B2. Indolinone derivatives as inhibitors of maternal embryonic leucine zipper kinase (2021)
tyrosine kinase 2/Non-receptor tyrosine-protein kinase TYK2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3553] [GtoPdb: 2269] [UniProtKB: P29597]
ChEMBL Inhibition of Tyk2 (unknown origin) using 1 mM of ATP and Tyr3 peptide by Z'-LYTE kinase assay B 5.77 pIC50 1700 nM IC50 J Med Chem (2015) 58: 7596-7602 [PMID:26351728]
ChEMBL Inhibition of Tyk2 (unknown origin) using 25 uM of ATP and Tyr3 peptide by Z'-LYTE kinase assay B 8.3 pIC50 5 nM IC50 J Med Chem (2015) 58: 7596-7602 [PMID:26351728]
GtoPdb - - 9 pIC50 1 nM IC50 Proc Natl Acad Sci USA (2007) 104: 20523-8 [PMID:18077363]
ChEMBL Inhibition of TYK2 B 9 pIC50 1 nM IC50 J Med Chem (2008) 51: 7015-7019 [PMID:18844338]
ChEMBL Inhibition of TYK2 (unknown origin) B 9 pIC50 1 nM IC50 Bioorg Med Chem Lett (2021) 38: 127849-127849 [PMID:33609656]
ChEMBL Inhibition of N-terminal flag tagged human TYK2 expressed in baculovirus infected Sf9 cells using biotin-EQEDEPEGDYFEWLE-NH2 as substrate in the presence of [gamma p33]-ATP by FRET assay B 9 pIC50 1 nM IC50 Eur J Med Chem (2020) 192: 112155-112155 [PMID:32120325]
ChEMBL Inhibition of Tyrosine kinase 2 kinase B 9 pIC50 1 nM IC50 Bioorg Med Chem Lett (2002) 12: 1219-1223 [PMID:11934592]
ChEMBL Inhibition of TYK2 (unknown origin) B 9 pIC50 1 nM IC50 Eur J Med Chem (2020) 192: 112155-112155 [PMID:32120325]
ChEMBL Inhibition of Tyk2 B 9 pIC50 1 nM IC50 Proc Natl Acad Sci U S A (2007) 104: 20523-20528 [PMID:18077363]
platelet derived growth factor receptor beta/platelet derived growth factor receptor alpha/Platelet-derived growth factor receptor in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2095189] [GtoPdb: 1804, 1803] [UniProtKB: P09619, P16234]
ChEMBL Inhibition of Platelet-derived growth factor receptor B 5.83 pIC50 1490 nM IC50 Bioorg Med Chem Lett (2002) 12: 1219-1223 [PMID:11934592]
mPGES1/Prostaglandin E synthase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5658] [GtoPdb: 1377] [UniProtKB: O14684]
ChEMBL Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using PGH2 substrate by RP-HPLC method B 5 pIC50 >10000 nM IC50 Bioorg Med Chem (2015) 23: 4839-4845 [PMID:26088337]
protein kinase C alpha/Protein kinase C alpha type in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL299] [GtoPdb: 1482] [UniProtKB: P17252]
ChEMBL Inhibition of protein kinase C alpha B 5.92 pIC50 1200 nM IC50 Bioorg Med Chem Lett (2002) 12: 1219-1223 [PMID:11934592]
SRC proto-oncogene, non-receptor tyrosine kinase/Proto-oncogene tyrosine-protein kinase Src in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL267] [GtoPdb: 2206] [UniProtKB: P12931]
ChEMBL Inhibition of Src protein tyrosine kinase B 5.1 pIC50 >8000 nM IC50 Bioorg Med Chem Lett (2002) 12: 1219-1223 [PMID:11934592]
Raf-1 proto-oncogene, serine/threonine kinase/RAF proto-oncogene serine/threonine-protein kinase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1906] [GtoPdb: 2184] [UniProtKB: P04049]
ChEMBL Inhibition of protein kinase Raf B 5 pIC50 >10000 nM IC50 Bioorg Med Chem Lett (2002) 12: 1219-1223 [PMID:11934592]
C-terminal Src kinase/Tyrosine-protein kinase CSK in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2634] [GtoPdb: 1994] [UniProtKB: P41240]
ChEMBL Inhibition of Tyrosine-protein kinase CSK B 5.68 pIC50 2100 nM IC50 Bioorg Med Chem Lett (2002) 12: 1219-1223 [PMID:11934592]
FYN proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase Fyn in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1841] [GtoPdb: 2026] [UniProtKB: P06241]
ChEMBL Inhibition of protein kinase Fyn B 6.3 pIC50 500 nM IC50 Bioorg Med Chem Lett (2002) 12: 1219-1223 [PMID:11934592]
ChEMBL Inhibition of FynT (unknown origin) B 6.3 pIC50 500 nM IC50 Bioorg Med Chem Lett (2021) 38: 127849-127849 [PMID:33609656]
HCK proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase HCK in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3234] [GtoPdb: 2032] [UniProtKB: P08631]
ChEMBL Inhibition of protein kinase Hck B 5.11 pIC50 7700 nM IC50 Bioorg Med Chem Lett (2002) 12: 1219-1223 [PMID:11934592]
Janus kinase 1/Tyrosine-protein kinase JAK1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2835] [GtoPdb: 2047] [UniProtKB: P23458]
ChEMBL Inhibition of JAK1 (unknown origin) using 1 mM of ATP and Tyr6 peptide by Z'-LYTE kinase assay B 6.22 pIC50 600 nM IC50 J Med Chem (2015) 58: 7596-7602 [PMID:26351728]
ChEMBL Inhibition of JAK1 B 7.82 pIC50 15 nM IC50 J Med Chem (2008) 51: 7015-7019 [PMID:18844338]
ChEMBL Inhibition of JAK1 (unknown origin) B 7.82 pIC50 15 nM IC50 Bioorg Med Chem Lett (2021) 38: 127849-127849 [PMID:33609656]
ChEMBL Inhibition of JAK1 (unknown origin) B 7.82 pIC50 15 nM IC50 Eur J Med Chem (2020) 192: 112155-112155 [PMID:32120325]
ChEMBL Inhibition of JAK1 (unknown origin) using 87 uM of ATP and Tyr6 peptide by Z'-LYTE kinase assay B 8.4 pIC50 4 nM IC50 J Med Chem (2015) 58: 7596-7602 [PMID:26351728]
Janus kinase 1/Tyrosine-protein kinase JAK1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2968] [GtoPdb: 2047] [UniProtKB: P52332]
ChEMBL Inhibition of murine Jak 1 protein kinase B 7.82 pIC50 15 nM IC50 Bioorg Med Chem Lett (2002) 12: 1219-1223 [PMID:11934592]
ChEMBL Inhibition of mouse JAK1 B 7.82 pIC50 15 nM IC50 Proc Natl Acad Sci U S A (2007) 104: 20523-20528 [PMID:18077363]
ChEMBL Inhibition of N-terminal flag tagged mouse JAK1 expressed in baculovirus infected Sf9 cells using biotin-EQEDEPEGDYFEWLE-NH2 as substrate in the presence of [gamma p33]-ATP by FRET assay B 7.82 pIC50 15 nM IC50 Eur J Med Chem (2020) 192: 112155-112155 [PMID:32120325]
Janus kinase 2/Tyrosine-protein kinase JAK2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2971] [GtoPdb: 2048] [UniProtKB: O60674]
ChEMBL Inhibition of JAK2 (unknown origin) using 1 mM of ATP and Tyr6 peptide by Z'-LYTE kinase assay B 5.85 pIC50 1400 nM IC50 J Med Chem (2015) 58: 7596-7602 [PMID:26351728]
GtoPdb - - 9 pIC50 1 nM IC50 Bioorg Med Chem Lett (2002) 12: 1219-23 [PMID:11934592]
ChEMBL Inhibition of JAK2 B 9 pIC50 1 nM IC50 Proc Natl Acad Sci U S A (2007) 104: 20523-20528 [PMID:18077363]
ChEMBL Inhibition of JAK2 B 9 pIC50 1 nM IC50 J Med Chem (2008) 51: 7015-7019 [PMID:18844338]
ChEMBL Inhibition of JAK2 (unknown origin) using 35 uM of ATP and Tyr6 peptide by Z'-LYTE kinase assay B 9 pIC50 1 nM IC50 J Med Chem (2015) 58: 7596-7602 [PMID:26351728]
ChEMBL Inhibition of human JAK2 (835 to 1132 residues) B 9 pIC50 1 nM IC50 Bioorg Med Chem Lett (2021) 38: 127849-127849 [PMID:33609656]
ChEMBL Inhibition of N-terminal flag tagged human JAK2 expressed in baculovirus infected Sf9 cells using biotin-EQEDEPEGDYFEWLE-NH2 as substrate in the presence of [gamma p33]-ATP by FRET assay B 9 pIC50 1 nM IC50 Eur J Med Chem (2020) 192: 112155-112155 [PMID:32120325]
ChEMBL Inhibition of protein kinase Jak 2 B 9 pIC50 1 nM IC50 Bioorg Med Chem Lett (2002) 12: 1219-1223 [PMID:11934592]
ChEMBL Inhibition of JAK2 (unknown origin) B 9 pIC50 1 nM IC50 Eur J Med Chem (2020) 192: 112155-112155 [PMID:32120325]
Janus kinase 3/Tyrosine-protein kinase JAK3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2148] [GtoPdb: 2049] [UniProtKB: P52333]
ChEMBL Inhibition of JAK3 (unknown origin) using 1 mM of ATP and Tyr6 peptide by Z'-LYTE kinase assay B 6.05 pIC50 900 nM IC50 J Med Chem (2015) 58: 7596-7602 [PMID:26351728]
ChEMBL Inhibition of JAK3 (unknown origin) using 16 uM of ATP and Tyr6 peptide by Z'-LYTE kinase assay B 8 pIC50 10 nM IC50 J Med Chem (2015) 58: 7596-7602 [PMID:26351728]
GtoPdb - - 8.3 pIC50 5 nM IC50 Bioorg Med Chem Lett (2002) 12: 1219-23 [PMID:11934592]
ChEMBL Inhibition of JAK3 B 8.3 pIC50 5 nM IC50 J Med Chem (2008) 51: 7015-7019 [PMID:18844338]
ChEMBL Inhibition of JAK3 (unknown origin) B 8.3 pIC50 5 nM IC50 Bioorg Med Chem Lett (2021) 38: 127849-127849 [PMID:33609656]
ChEMBL Inhibition of N-terminal flag tagged human JAK3 expressed in baculovirus infected Sf9 cells using biotin-EQEDEPEGDYFEWLE-NH2 as substrate in the presence of [gamma p33]-ATP by FRET assay B 8.3 pIC50 5 nM IC50 Eur J Med Chem (2020) 192: 112155-112155 [PMID:32120325]
ChEMBL Inhibition of protein kinase Jak 3 B 8.3 pIC50 5 nM IC50 Bioorg Med Chem Lett (2002) 12: 1219-1223 [PMID:11934592]
ChEMBL Inhibition of JAK3 (unknown origin) B 8.3 pIC50 5 nM IC50 Eur J Med Chem (2020) 192: 112155-112155 [PMID:32120325]
ChEMBL Inhibition of JAK3 B 8.3 pIC50 5 nM IC50 Proc Natl Acad Sci U S A (2007) 104: 20523-20528 [PMID:18077363]
LCK proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase Lck in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL258] [GtoPdb: 2053] [UniProtKB: P06239]
ChEMBL Inhibition of p56 Lck tyrosine kinase B 5.1 pIC50 >8000 nM IC50 Bioorg Med Chem Lett (2002) 12: 1219-1223 [PMID:11934592]
ChEMBL Inhibition of p56 Lck tyrosine kinase B 5.1 pIC50 >8000 nM IC50 Bioorg Med Chem Lett (2002) 12: 1219-1223 [PMID:11934592]
fms related receptor tyrosine kinase 1/Vascular endothelial growth factor receptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1868] [GtoPdb: 1812] [UniProtKB: P17948]
ChEMBL Inhibition of Vascular endothelial growth factor receptor 1 B 5.82 pIC50 1520 nM IC50 Bioorg Med Chem Lett (2002) 12: 1219-1223 [PMID:11934592]
kinase insert domain receptor/Vascular endothelial growth factor receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL279] [GtoPdb: 1813] [UniProtKB: P35968]
ChEMBL Inhibition of Vascular endothelial growth factor receptor 2 B 5.85 pIC50 1400 nM IC50 Bioorg Med Chem Lett (2002) 12: 1219-1223 [PMID:11934592]
fms related receptor tyrosine kinase 4/Vascular endothelial growth factor receptor 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1955] [GtoPdb: 1814] [UniProtKB: P35916]
ChEMBL Inhibition of Vascular endothelial growth factor receptor 3 B 6.16 pIC50 690 nM IC50 Bioorg Med Chem Lett (2002) 12: 1219-1223 [PMID:11934592]

ChEMBL data shown on this page come from version 36:

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]