chrysin [Ligand Id: 8789] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL117 (NSC-407436)
  • 3-oxoacyl-acyl-carrier protein reductase in Plasmodium falciparum [ChEMBL: CHEMBL4513] [UniProtKB: Q965D6]
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  • aldo-keto reductase family 1 member B/Aldose reductase in Human [ChEMBL: CHEMBL1900] [GtoPdb: 2768] [UniProtKB: P15121]
  • Aldose reductase in Bovine [ChEMBL: CHEMBL3081] [UniProtKB: P16116]
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  • ABCG2/ATP-binding cassette sub-family G member 2 in Human [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0]
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  • carbonic anhydrase 1/Carbonic anhydrase I in Human [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915]
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  • carbonic anhydrase 2/Carbonic anhydrase II in Human [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918]
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  • carbonic anhydrase 4/Carbonic anhydrase IV in Human [ChEMBL: CHEMBL3729] [GtoPdb: 2599] [UniProtKB: P22748]
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  • carbonic anhydrase 9/Carbonic anhydrase IX in Human [ChEMBL: CHEMBL3594] [GtoPdb: 3055] [UniProtKB: Q16790]
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  • carbonic anhydrase 7/Carbonic anhydrase VII in Human [ChEMBL: CHEMBL2326] [GtoPdb: 2749] [UniProtKB: P43166]
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  • carbonic anhydrase 12/Carbonic anhydrase XII in Human [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570]
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  • CBR1/Carbonyl reductase [NADPH] 1 in Human [ChEMBL: CHEMBL5586] [GtoPdb: 1383] [UniProtKB: P16152]
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  • cyclin dependent kinase 5/Cyclin-dependent kinase 5/CDK5 activator 1 in Human [ChEMBL: CHEMBL1907600] [GtoPdb: 1977] [UniProtKB: Q00535Q15078]
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  • cyclin dependent kinase 6/Cyclin-dependent kinase 6 in Human [ChEMBL: CHEMBL2508] [GtoPdb: 1978] [UniProtKB: Q00534]
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  • Human immunodeficiency virus type 1 integrase in Human immunodeficiency virus 1 [ChEMBL: CHEMBL3471] [UniProtKB: Q7ZJM1]
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  • Neuraminidase in Influenza A virus (A/Puerto Rico/8/1934(H1N1)) [ChEMBL: CHEMBL2051] [UniProtKB: P03468]
  • Neuraminidase in Influenza A virus [ChEMBL: CHEMBL6135] [UniProtKB: B4URF0]
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  • Pim-1 proto-oncogene, serine/threonine kinase/Serine/threonine-protein kinase PIM1 in Human [ChEMBL: CHEMBL2147] [GtoPdb: 2158] [UniProtKB: P11309]
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  • fms related receptor tyrosine kinase 3/Tyrosine-protein kinase receptor FLT3 in Human [ChEMBL: CHEMBL1974] [GtoPdb: 1807] [UniProtKB: P36888]
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  • xanthine dehydrogenase/Xanthine dehydrogenase in Human [ChEMBL: CHEMBL1929] [GtoPdb: 2646] [UniProtKB: P47989]
  • Xanthine dehydrogenase in Bovine [ChEMBL: CHEMBL3649] [UniProtKB: P80457]
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  • CYP1A1 in Human [GtoPdb: 1318] [UniProtKB: P04798]
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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: O95067P06493P14635Q8WWL7]
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: Q00535Q15078]
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: 419416404410414412408406405411407417409413415418] [UniProtKB: O00591O14764P14867P18505P18507P28472P31644P34903P47869P47870P48169P78334Q16445Q8N1C3Q99928Q9UN88]
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: 419410416414408406413405407415409404412411417] [UniProtKB: O09028P15431P18506P18508P19969P20236P23574P23576P28471P28473P30191P62813P63079P63138Q91ZM7Q9ES14]
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]
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]
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 27:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]