chrysin [Ligand Id: 8789] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL117 (NSC-407436) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| 3-oxoacyl-acyl-carrier protein reductase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4513] [UniProtKB: Q965D6] | ||||||||
| ChEMBL | Inhibition of FabG | B | 5 | pIC50 | 10000 | nM | IC50 | J Med Chem (2006) 49: 3345-3353 [PMID:16722653] |
| aldo-keto reductase family 1 member B/Aldose reductase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1900] [GtoPdb: 2768] [UniProtKB: P15121] | ||||||||
| ChEMBL | Inhibition of human recombinant aldose reductase | B | 5.07 | pIC50 | 8500 | nM | IC50 | Bioorg Med Chem (2008) 16: 3245-3254 [PMID:18165015] |
| ChEMBL | Inhibition of aldose reductase by spectrophotometric analysis | B | 5.11 | pIC50 | 7780 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 1222-1226 [PMID:21256748] |
| Aldose reductase in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3081] [UniProtKB: P16116] | ||||||||
| ChEMBL | Inhibition of aldose reductase from calf lense by AR assay | B | 5.11 | pIC50 | 7790 | nM | IC50 | Bioorg Med Chem (2010) 18: 3020-3025 [PMID:20395149] |
| ABCG2/ATP-binding cassette sub-family G member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0] | ||||||||
| ChEMBL | Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining | B | 5.59 | pIC50 | 2600 | nM | IC50 | Bioorg Med Chem (2011) 19: 2090-2102 [PMID:21354800] |
| ChEMBL | Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining | B | 5.82 | pIC50 | 1500 | nM | IC50 | Bioorg Med Chem (2011) 19: 2090-2102 [PMID:21354800] |
| Calmodulin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6093] [UniProtKB: P0DP23] | ||||||||
| ChEMBL | Inhibition of human recombinant calmodulin assessed as inhibition of calmodulin-sensitive cAMP phosphodiesterase activation after 15 mins by spectrophotometric analysis | B | 4.48 | pIC50 | 33430 | nM | IC50 | Bioorg Med Chem (2011) 19: 542-546 [PMID:21129983] |
| carbonic anhydrase 1/Carbonic anhydrase I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915] | ||||||||
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay | B | 5 | pKi | >10000 | nM | Ki | Bioorg Med Chem (2015) 23: 7219-7225 [PMID:26498393] |
| ChEMBL | Inhibition of cytosolic human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay | B | 5.26 | pKi | 5490 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 3063-3066 [PMID:22487176] |
| ChEMBL | Inhibition of cytosolic human carbonic anhydrase 1 preincubated for 12 hrs by stopped flow CO2 hydration assay | B | 5.27 | pKi | 5420 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 3063-3066 [PMID:22487176] |
| carbonic anhydrase 2/Carbonic anhydrase II in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918] | ||||||||
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay | B | 5 | pKi | >10000 | nM | Ki | Bioorg Med Chem (2015) 23: 7219-7225 [PMID:26498393] |
| ChEMBL | Inhibition of cytosolic human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay | B | 5.36 | pKi | 4380 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 3063-3066 [PMID:22487176] |
| ChEMBL | Inhibition of cytosolic human carbonic anhydrase 2 preincubated for 12 hrs by stopped flow CO2 hydration assay | B | 5.37 | pKi | 4310 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 3063-3066 [PMID:22487176] |
| carbonic anhydrase 4/Carbonic anhydrase IV in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3729] [GtoPdb: 2599] [UniProtKB: P22748] | ||||||||
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay | B | 6.27 | pKi | 537.75 | nM | Ki | Bioorg Med Chem (2015) 23: 7219-7225 [PMID:26498393] |
| carbonic anhydrase 9/Carbonic anhydrase IX in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3594] [GtoPdb: 3055] [UniProtKB: Q16790] | ||||||||
| ChEMBL | Inhibition of transmembrane tumor-associated human carbonic anhydrase 9 preincubated for 12 hrs by stopped flow CO2 hydration assay | B | 5.57 | pKi | 2710 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 3063-3066 [PMID:22487176] |
| ChEMBL | Inhibition of transmembrane tumor-associated human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay | B | 5.58 | pKi | 2650 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 3063-3066 [PMID:22487176] |
| carbonic anhydrase 7/Carbonic anhydrase VII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2326] [GtoPdb: 2749] [UniProtKB: P43166] | ||||||||
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay | B | 6.77 | pKi | 171.41 | nM | Ki | Bioorg Med Chem (2015) 23: 7219-7225 [PMID:26498393] |
| carbonic anhydrase 12/Carbonic anhydrase XII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570] | ||||||||
| ChEMBL | Inhibition of transmembrane tumor-associated human carbonic anhydrase 12 preincubated for 12 hrs by stopped flow CO2 hydration assay | B | 5.04 | pKi | 9070 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 3063-3066 [PMID:22487176] |
| ChEMBL | Inhibition of transmembrane tumor-associated human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay | B | 5.05 | pKi | 8960 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 3063-3066 [PMID:22487176] |
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay | B | 7.46 | pKi | 34.7 | nM | Ki | Bioorg Med Chem (2015) 23: 7219-7225 [PMID:26498393] |
| CBR1/Carbonyl reductase [NADPH] 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5586] [GtoPdb: 1383] [UniProtKB: P16152] | ||||||||
| ChEMBL | Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate | B | 6.96 | pKi | 110 | nM | Ki | Bioorg Med Chem (2009) 17: 530-536 [PMID:19097799] |
| ChEMBL | Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate | B | 6.17 | pIC50 | 670 | nM | IC50 | Bioorg Med Chem (2009) 17: 530-536 [PMID:19097799] |
| cyclin dependent kinase 1/Cyclin-dependent kinase 1/cyclin B in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2094127] [GtoPdb: 1961] [UniProtKB: O95067, P06493, P14635, Q8WWL7] | ||||||||
| ChEMBL | Inhibition of cyclin-dependent kinase 1/cyclinB | B | 5.15 | pIC50 | 7100 | nM | IC50 | J Med Chem (2005) 48: 737-743 [PMID:15689157] |
| cyclin dependent kinase 5/Cyclin-dependent kinase 5/CDK5 activator 1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907600] [GtoPdb: 1977] [UniProtKB: Q00535, Q15078] | ||||||||
| ChEMBL | Inhibition of Cyclin-dependent kinase 5-p25nck5a | B | 5.51 | pIC50 | 3100 | nM | IC50 | J Med Chem (2005) 48: 737-743 [PMID:15689157] |
| cyclin dependent kinase 6/Cyclin-dependent kinase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2508] [GtoPdb: 1978] [UniProtKB: Q00534] | ||||||||
| ChEMBL | Inhibition of human cyclin-dependent kinase 6 complex with a virus-encoded cyclin from herpesvirus saimiri (Vcyclin) | B | 5.22 | pIC50 | 6000 | nM | IC50 | J Med Chem (2005) 48: 737-743 [PMID:15689157] |
| ChEMBL | Inhibition of Homo sapiens (human) cyclin-dependent kinase 6 | B | 5.22 | pIC50 | 6000 | nM | IC50 | Med Chem Res (2010) 19: 817-835 |
| Cyclooxygenase-1 in Sheep (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2949] [UniProtKB: P05979] | ||||||||
| ChEMBL | Inhibition of ovine COX1 using arachidonic acid as substrate incubated for 10 mins prior to substrate addition measured after 2 mins by spectrophotometry | B | 4.41 | pIC50 | 39300 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 77-82 [PMID:24332492] |
| COX-2 /Cyclooxygenase-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL230] [GtoPdb: 1376] [UniProtKB: P35354] | ||||||||
| ChEMBL | Inhibition of human recombinant COX2 using arachidonic acid as substrate incubated for 10 mins prior to substrate addition measured after 2 mins by spectrophotometry | B | 4.59 | pIC50 | 25500 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 77-82 [PMID:24332492] |
| CYP19A1/Cytochrome P450 19A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1978] [GtoPdb: 1362] [UniProtKB: P11511] | ||||||||
| ChEMBL | Apparent Ki against human aromatase | B | 5.59 | pKi | 2600 | nM | Ki | J Med Chem (2004) 47: 4032-4040 [PMID:15267241] |
| ChEMBL | Inhibition of aromatase | B | 5.82 | pIC50 | 1500 | nM | IC50 | Bioorg Med Chem (2012) 20: 2603-2613 [PMID:22444875] |
| ChEMBL | Inhibition of aromatase (unknown origin) | B | 6.1 | pIC50 | 800 | nM | IC50 | Medchemcomm (2013) 4: 1590-1596 |
| ChEMBL | Inhibition of aromatase (unknown origin) | B | 6.3 | pIC50 | 500 | nM | IC50 | Eur J Med Chem (2015) 102: 375-386 [PMID:26301554] |
| ChEMBL | Inhibition of human placental microsome CYP19 | B | 9 | pIC50 | 1 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 3050-3064 [PMID:20413308] |
| CYP1B1/Cytochrome P450 1B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4878] [GtoPdb: 1320] [UniProtKB: Q16678] | ||||||||
| ChEMBL | Inhibition of CYP1B1 (unknown origin) | B | 7.8 | pKi | 16 | nM | Ki | Eur J Med Chem (2017) 135: 296-306 [PMID:28458135] |
| GtoPdb | - | - | 7.8 | pKi | 16 | nM | Ki | Bioorg Med Chem (2011) 19: 2842-9 [PMID:21482471] |
| ChEMBL | Inhibition of recombinant human CYP1B1 expressed in supersomes using ethoxyresorufin as substrate preincubated for 5 mins followed by substrate addition in presence of NADPH by fluorimetric analysis | B | 6.55 | pIC50 | 280 | nM | IC50 | Eur J Med Chem (2017) 135: 296-306 [PMID:28458135] |
| ChEMBL | Inhibition of human CYP1B1 by EROD assay | B | 7.62 | pIC50 | 24 | nM | IC50 | Bioorg Med Chem (2010) 18: 6310-6315 [PMID:20696580] |
| GABAA receptor π subunit/GABAA receptor δ subunit/GABAA receptor α1 subunit/GABAA receptor β1 subunit/GABAA receptor γ2 subunit/GABAA receptor β3 subunit/GABAA receptor α5 subunit/GABAA receptor α3 subunit/GABAA receptor α2 subunit/GABAA receptor β2 subunit/GABAA receptor α4 subunit/GABAA receptor ε subunit/GABAA receptor α6 subunit/GABAA receptor γ1 subunit/GABAA receptor γ3 subunit/GABAA receptor θ subunit/GABA-A receptor; anion channel in Human (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL2093872] [GtoPdb: 419, 416, 404, 410, 414, 412, 408, 406, 405, 411, 407, 417, 409, 413, 415, 418] [UniProtKB: O00591, O14764, P14867, P18505, P18507, P28472, P31644, P34903, P47869, P47870, P48169, P78334, Q16445, Q8N1C3, Q99928, Q9UN88] | ||||||||
| ChEMBL | Binding affinity towards benzodiazepine site in GABAA receptor | B | 5.52 | pKi | 3019.95 | nM | Ki | J Med Chem (2001) 44: 1883-1891 [PMID:11384234] |
| GABAA receptor π subunit/GABAA receptor β1 subunit/GABAA receptor δ subunit/GABAA receptor γ2 subunit/GABAA receptor α5 subunit/GABAA receptor α3 subunit/GABAA receptor γ1 subunit/GABAA receptor α2 subunit/GABAA receptor α4 subunit/GABAA receptor γ3 subunit/GABAA receptor α6 subunit/GABAA receptor α1 subunit/GABAA receptor β3 subunit/GABAA receptor β2 subunit/GABAA receptor ε subunit/GABA-A receptor; anion channel in Rat (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL1907607] [GtoPdb: 419, 410, 416, 414, 408, 406, 413, 405, 407, 415, 409, 404, 412, 411, 417] [UniProtKB: O09028, P15431, P18506, P18508, P19969, P20236, P23574, P23576, P28471, P28473, P30191, P62813, P63079, P63138, Q91ZM7, Q9ES14] | ||||||||
| ChEMBL | In vitro affinity against Benzodiazepine receptor binding to rat cortical membranes (using [3H]- flumazenil as radioligand). | B | 6.04 | pKi | 920 | nM | Ki | J Med Chem (1999) 42: 4343-4350 [PMID:10543878] |
| Glyoxalase I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2424] [UniProtKB: Q04760] | ||||||||
| ChEMBL | Inhibition constant of compound against binding of Yeast Glyoxalase I | B | 4.08 | pKi | 83176.38 | nM | Ki | J Med Chem (1988) 31: 1396-1406 [PMID:3290487] |
| Human immunodeficiency virus type 1 integrase in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3471] [UniProtKB: Q7ZJM1] | ||||||||
| ChEMBL | Inhibition of recombinant HIV-1 integrase 3'-processing activity using 32P 5' end-labeled linear 21'mer as substrate preincubated for 30 mins prior to substrate challenge by phosphorimaging analysis | B | 4.7 | pIC50 | >20000 | nM | IC50 | Bioorg Med Chem (2014) 22: 3146-3158 [PMID:24794743] |
| ChEMBL | Inhibition of recombinant HIV-1 integrase strand transfer activity using 32P 5' end-labeled linear 21'mer as substrate preincubated for 30 mins prior to substrate challenge by phosphorimaging analysis | B | 4.7 | pIC50 | >20000 | nM | IC50 | Bioorg Med Chem (2014) 22: 3146-3158 [PMID:24794743] |
| ChEMBL | Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed by addition of Flag-LEDGF/p75 for 1 hr by AlphaScreen assay | B | 5.85 | pIC50 | 1400 | nM | IC50 | Bioorg Med Chem (2014) 22: 3146-3158 [PMID:24794743] |
| Neuraminidase in Influenza A virus (A/Puerto Rico/8/1934(H1N1)) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2051] [UniProtKB: P03468] | ||||||||
| ChEMBL | Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay | B | 1.06 | pIC50 | 1.06 | - | logIC50 | Eur J Med Chem (2010) 45: 1724-1730 [PMID:20116898] |
| Neuraminidase in Influenza A virus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6135] [UniProtKB: B4URF0] | ||||||||
| ChEMBL | Inhibition of Influenza A Jiangsu/10/2003 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay | B | 4.28 | pIC50 | 52900 | nM | IC50 | Bioorg Med Chem (2008) 16: 7141-7147 [PMID:18640042] |
| ChEMBL | Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay | B | 4.34 | pIC50 | 45700 | nM | IC50 | Bioorg Med Chem (2008) 16: 7141-7147 [PMID:18640042] |
| ChEMBL | Inhibition of Influenza A Jinan/15/90 H3N2 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay | B | 4.48 | pIC50 | 33360 | nM | IC50 | Bioorg Med Chem (2008) 16: 7141-7147 [PMID:18640042] |
| ABCB1/P-glycoprotein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183] | ||||||||
| ChEMBL | Binding affinity to ABCB1 nucleotide binding domain 2 | B | 5.05 | pKd | 8912.51 | nM | Kd | Eur J Med Chem (2011) 46: 4078-4088 [PMID:21723648] |
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54 | F | 4.53 | pIC50 | 29800 | nM | IC50 | J Med Chem (2006) 49: 3345-3353 [PMID:16722653] |
| proteasome 20S subunit beta 5/Proteasome Macropain subunit MB1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4662] [GtoPdb: 2406] [UniProtKB: P28074] | ||||||||
| ChEMBL | Inhibition of chymotrypsin-like activity of human 26S proteasome in human Jurkat cells assessed as decrease in AMC hydrolysis using Z-Gly-Gly-Leu-AMC as substrate after 24 hrs by fluorescence based method | B | 5.21 | pIC50 | 6100 | nM | IC50 | Eur J Med Chem (2019) 167: 291-311 [PMID:30776692] |
| ChEMBL | Inhibition of chymotrypsin-like activity of purified human 20S proteasome expressed in human Jurkat cells assessed as decrease in AMC hydrolysis using Suc-Leu-Leu-Val-Tyr-AMC as substrate incubated for 2 hrs by fluorescence based method | B | 5.31 | pIC50 | 4900 | nM | IC50 | Eur J Med Chem (2019) 167: 291-311 [PMID:30776692] |
| Seed lipoxygenase-1 in Glycine max (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4586] [UniProtKB: P08170] | ||||||||
| ChEMBL | Mixed noncompetitive type inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Lineweaver-Burk plot analysis | B | 4.71 | pKi | 19400 | nM | Ki | Eur J Med Chem (2014) 72: 137-145 [PMID:24368208] |
| Pim-1 proto-oncogene, serine/threonine kinase/Serine/threonine-protein kinase PIM1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2147] [GtoPdb: 2158] [UniProtKB: P11309] | ||||||||
| ChEMBL | Inhibition of PIM1 kinase | B | 1.18 | pIC50 | -1.18 | uM | -Log IC50 | Bioorg Med Chem (2007) 15: 6463-6473 [PMID:17637507] |
| fms related receptor tyrosine kinase 3/Tyrosine-protein kinase receptor FLT3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1974] [GtoPdb: 1807] [UniProtKB: P36888] | ||||||||
| ChEMBL | Inhibition of recombinant FLT3 (unknown origin) by TR-FRET assay | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 1768-1770 [PMID:23411073] |
| xanthine dehydrogenase/Xanthine dehydrogenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1929] [GtoPdb: 2646] [UniProtKB: P47989] | ||||||||
| ChEMBL | Inhibition of xanthine oxidase assessed as decrease in uric acid production by spectrophotometry | B | 6.08 | pIC50 | 840 | nM | IC50 | J Nat Prod (1998) 61: 71-76 [PMID:9461655] |
| Xanthine dehydrogenase in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3649] [UniProtKB: P80457] | ||||||||
| ChEMBL | Inhibition of bovine milk xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 3 hrs followed by substrate addition by UV-Vis spectrophotometric assay | B | 5.9 | pIC50 | 1260 | nM | IC50 | Eur J Med Chem (2017) 135: 491-516 [PMID:28478180] |
| CYP1A1 in Human [GtoPdb: 1318] [UniProtKB: P04798] | ||||||||
| GtoPdb | - | - | 7.38 | pKi | 42 | nM | Ki | Bioorg Med Chem (2011) 19: 2842-9 [PMID:21482471] |
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]
