gossypol [Ligand Id: 4204] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL51483 (BL-193, (-)-Gossypol, Gossypol, No fertil, NSC-56817, NSC-624336, Pogosin, Tash 1)
  • aldo-keto reductase family 1 member B/Aldose reductase in Human [ChEMBL: CHEMBL1900] [GtoPdb: 2768] [UniProtKB: P15121]
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  • BCL2 apoptosis regulator/Apoptosis regulator Bcl-2 in Human [ChEMBL: CHEMBL4860] [GtoPdb: 2844] [UniProtKB: P10415]
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  • Bcl-2-like 2/Apoptosis regulator Bcl-W in Human [ChEMBL: CHEMBL4677] [GtoPdb: 2846] [UniProtKB: Q92843]
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  • Bcl-2-like 1/Apoptosis regulator Bcl-X in Human [ChEMBL: CHEMBL4625] [GtoPdb: 2845] [UniProtKB: Q07817]
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  • Bcl2-antagonist of cell death (BAD) in Human [ChEMBL: CHEMBL3817] [UniProtKB: Q92934]
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  • Beta-lactamase AmpC in Escherichia coli [ChEMBL: CHEMBL2026] [UniProtKB: P00811]
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  • Glucose transporter 1/Glucose transporter in Human [ChEMBL: CHEMBL2535] [GtoPdb: 875] [UniProtKB: P11166]
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  • MCL1 apoptosis regulator, BCL2 family member/Induced myeloid leukemia cell differentiation protein Mcl-1 in Human [ChEMBL: CHEMBL4361] [GtoPdb: 2847] [UniProtKB: Q07820]
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  • Inosine-5`-monophosphate dehydrogenase in Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM14847 / LMG 12228 / 1C / PRS 101 / PAO1) [ChEMBL: CHEMBL4523953] [UniProtKB: Q9HXM5]
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  • Lactate dehydrogenase in Plasmodium falciparum [ChEMBL: CHEMBL6071] [UniProtKB: Q0PJ46]
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  • L-lactate dehydrogenase A chain in Human [ChEMBL: CHEMBL4835] [UniProtKB: P00338]
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  • L-lactate dehydrogenase B chain in Human [ChEMBL: CHEMBL4940] [UniProtKB: P07195]
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  • Malate dehydrogenase in Plasmodium falciparum [ChEMBL: CHEMBL6072] [UniProtKB: Q6VVP7]
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  • Malate dehydrogenase cytoplasmic in Pig [ChEMBL: CHEMBL4048] [UniProtKB: P11708]
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  • Malate dehydrogenase mitochondrial in Pig [ChEMBL: CHEMBL3444] [UniProtKB: P00346]
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  • MDM2 proto-oncogene/p53-binding protein Mdm-2 in Human [ChEMBL: CHEMBL5023] [GtoPdb: 3136] [UniProtKB: Q00987]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
aldo-keto reductase family 1 member B/Aldose reductase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1900] [GtoPdb: 2768] [UniProtKB: P15121]
ChEMBL The compound was tested for inhibitory activity against Aldose reductase from human placenta B 6.3 pKi 500 nM Ki J Med Chem (1991) 34: 3301-3305 [PMID:1956050]
BCL2 apoptosis regulator/Apoptosis regulator Bcl-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4860] [GtoPdb: 2844] [UniProtKB: P10415]
ChEMBL Binding affinity to Bcl2 (unknown origin) expressed in Escherichia coli BL21 by ITC assay B 5.32 pKd 4800 nM Kd Eur J Med Chem (2013) 60: 410-420 [PMID:23314054]
ChEMBL Displacement of Flu-Bak peptide from recombinant antiapoptotic Bcl2 protein by fluorescence polarization assay B 5 pKi 10100 nM Ki Bioorg Med Chem (2007) 15: 2167-2176 [PMID:17227711]
ChEMBL Inhibition of Bcl-2 (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by fluorescence polarization technique B 6.21 pKi 620 nM Ki Bioorg Med Chem (2015) 23: 1994-2003 [PMID:25818766]
ChEMBL Competitive binding affinity to Bcl-2 (unknown origin) using 5-FAM-Bid-BH3 peptide preincubated for 30 mins before 5-FAM-Bid-BH3 peptide addition and measured 20 mins after 5-FAM-Bid-BH3 peptide addition by fluorescence polarization assay B 6.25 pKi 560 nM Ki Bioorg Med Chem (2015) 23: 7685-7693 [PMID:26620718]
ChEMBL Displacement of FAM-Bid BH3 peptide from recombinant Bcl-2 (unknown origin) expressed in Escherichia coli BL21 after 10 mins by fluorescence polarization assay B 6.25 pKi 558 nM Ki Eur J Med Chem (2013) 69: 711-718 [PMID:24095762]
ChEMBL Inhibition of FAM-Bid binding to human BCL2 expressed in Escherichia coli BL21 after 30 mins by fluorescence polarization assay B 6.29 pKi 511 nM Ki ACS Med Chem Lett (2016) 7: 1185-1190 [PMID:27994761]
ChEMBL Binding affinity to BCL2 B 6.33 pKi 467.74 nM Ki Proc Natl Acad Sci U S A (2007) 104: 19512-19517 [PMID:18040043]
ChEMBL Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Bcl-2 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition measured after 20 mins by fluorescence polarization assay B 6.35 pKi 450 nM Ki Bioorg Med Chem (2017) 25: 138-152 [PMID:27810438]
ChEMBL Inhibition of Bcl-2 (unknown origin) using FAM-Bid peptide as substrate by fluorescence polarization-based assay B 6.36 pKi 440 nM Ki Bioorg Med Chem Lett (2016) 26: 3464-3467 [PMID:27353532]
ChEMBL Inhibition of 5-FAM-Bid peptide binding to Bcl-2 (unknown origin) by fluorescence polarization assay B 6.36 pKi 440 nM Ki Bioorg Med Chem Lett (2016) 26: 5207-5211 [PMID:27712939]
ChEMBL Displacement of FAM-Bid peptide from N-terminal 8x His-tagged Bcl-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluorescence polarization assay B 6.37 pKi 431 nM Ki J Med Chem (2016) 59: 3152-3162 [PMID:26982372]
ChEMBL Inhibition of 6-carboxyfluorescein succinimidyl ester fluorescence tagged-Bid BH3 peptide (79 to 99 residues) binding to Bcl-2 (unknown origin) after 30 mins by fluorescence polarization assay B 6.38 pKi 420 nM Ki Bioorg Med Chem Lett (2017) 27: 1943-1948 [PMID:28343875]
ChEMBL Inhibition of Bcl2 (unknown origin) B 6.49 pKi 320 nM Ki Eur J Med Chem (2019) 177: 63-75 [PMID:31129454]
ChEMBL Binding affinity to BCl2 B 6.49 pKi 320 nM Ki J Med Chem (2010) 53: 6779-6810 [PMID:20925433]
ChEMBL Displacement of FAM-Bid from human Bcl2 by FP assay B 6.49 pKi 320 nM Ki J Med Chem (2006) 49: 6139-6142 [PMID:17034116]
ChEMBL Displacement of FAM-Bim peptide from human Bcl2 by fluorescence polarization assay B 6.77 pKi 170 nM Ki J Med Chem (2007) 50: 3163-3166 [PMID:17552510]
ChEMBL Inhibition of Bcl-2 (unknown origin) after 15 hrs by FRET method B 5.68 pIC50 2110 nM IC50 Bioorg Med Chem Lett (2013) 23: 2391-2394 [PMID:23474389]
ChEMBL Inhibition of FAM-Bid binding to human BCL2 expressed in Escherichia coli BL21 after 30 mins by fluorescence polarization assay B 5.92 pIC50 1191 nM IC50 ACS Med Chem Lett (2016) 7: 1185-1190 [PMID:27994761]
ChEMBL Inhibition of biotinylated Bim peptide binding to His-tagged Bcl-2 (unknown origin) preincubated for 1 hr followed by biotinylated Bim peptide addition measured after 2 hrs by ELISA B 6.22 pIC50 600 nM IC50 Bioorg Med Chem Lett (2017) 27: 1037-1040 [PMID:28087272]
ChEMBL Binding affinity to human Bcl2 by ELISA B 6.3 pIC50 500 nM IC50 J Med Chem (2006) 49: 6139-6142 [PMID:17034116]
ChEMBL Displacement of FITC-labeled Bak BH3 peptide from Bcl-2 after 30 mins by fluorescence polarization assay B 6.52 pIC50 300 nM IC50 J Med Chem (2010) 53: 4166-4176 [PMID:20443627]
ChEMBL Displacement of FITC-labeled Bak BH3 peptide from Bcl-2 after 30 mins by fluorescence polarization assay B 6.59 pIC50 260 nM IC50 J Med Chem (2010) 53: 4166-4176 [PMID:20443627]
Bcl-2-like 2/Apoptosis regulator Bcl-W in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4677] [GtoPdb: 2846] [UniProtKB: Q92843]
ChEMBL Displacement of Flu-Bak peptide from recombinant antiapoptotic Bcl-w protein by fluorescence polarization assay B 4.75 pKi 17700 nM Ki Bioorg Med Chem (2007) 15: 2167-2176 [PMID:17227711]
Bcl-2-like 1/Apoptosis regulator Bcl-X in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4625] [GtoPdb: 2845] [UniProtKB: Q07817]
ChEMBL Inhibition of interaction between GST-tagged Bcl-xl and Bak by surface plasmon resonance assay B 5.77 pKd 1710 nM Kd Bioorg Med Chem Lett (2008) 18: 5771-5771 [PMID:18845435]
ChEMBL Inhibition of 5-FAM-DMRPEIWIAQELRRIGDEFNAYYARR binding to Bcl-XL (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition measured after 20 mins by fluorescence polarization assay B 5.85 pKi 1400 nM Ki Bioorg Med Chem (2017) 25: 138-152 [PMID:27810438]
ChEMBL Inhibition of GST-tagged Bcl-xL (unknown origin) measured after 1 hr incubation by fluorescence polarization assay B 6 pKi 1000 nM Ki Bioorg Med Chem (2015) 23: 1747-1757 [PMID:25797160]
ChEMBL Competitive binding affinity to Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 peptide preincubated for 30 mins before 5-FAM-Bid-BH3 peptide addition and measured 20 mins after 5-FAM-Bid-BH3 peptide addition by fluorescence polarization assayy B 6.11 pKi 770 nM Ki Bioorg Med Chem (2015) 23: 7685-7693 [PMID:26620718]
ChEMBL Inhibition of Bcl-xL (unknown origin) by fluorescence polarization assay B 6.19 pKi 640 nM Ki Bioorg Med Chem Lett (2015) 25: 5265-5269 [PMID:26421995]
ChEMBL Binding affinity to Bc1-xL (unknown origin) by fluorescence polarization competition assay B 6.21 pKi 610 nM Ki Bioorg Med Chem Lett (2021) 47: 128215-128215 [PMID:34153472]
ChEMBL Displacement of FAM-Bak from human Bcl-xL by FP assay B 6.32 pKi 480 nM Ki J Med Chem (2006) 49: 6139-6142 [PMID:17034116]
ChEMBL Binding affinity to Bcl-xl B 6.32 pKi 480 nM Ki J Med Chem (2010) 53: 6779-6810 [PMID:20925433]
ChEMBL Inhibition of Bcl-xL (unknown origin) B 6.32 pKi 480 nM Ki Eur J Med Chem (2019) 177: 63-75 [PMID:31129454]
ChEMBL Inhibition of Bcl-XL (unknown origin) using FAM-Bid peptide as substrate by fluorescence polarization-based assay B 6.51 pKi 310 nM Ki Bioorg Med Chem Lett (2016) 26: 3464-3467 [PMID:27353532]
ChEMBL Inhibition of 5-FAM-Bid peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay B 6.51 pKi 310 nM Ki Bioorg Med Chem Lett (2016) 26: 5207-5211 [PMID:27712939]
ChEMBL Fluorescence Polarization Assays: A Bak BH3 peptide (F-BakBH3) (GQVGRQLAIIGDDINR) was labeled at the N-terminus with fluorescein isothiocyanate (FITC) (Molecular Probes) and purified by HPLC. For competitive binding assays, 100 nM GST-BCL-XL DTM protein was preincubated with the tested compound at varying concentrations in 47.5 uL PBS (pH=7.4) in 96-well black plates at room temperature for 10 min, then 2.5 uL of 100 nM FITC-labeled Bak BH3 peptide was added to produce a final volume of 50 uL. The wild-type and mutant Bak BH3 peptides were included in each assay plate as positive and negative controls, respectively.After 30 min incubation at room temperature, the polarization values in millipolarization units were measured at excitation/emission wavelengths of 480/535 nm with a multilabel plate reader (PerkinElmer). IC50 was determined by fitting the experimental data to a sigmoidal dose-response nonlinear regression model (SigmaPlot 10.0.1, Systat Software, Inc., San Jose, Calif., USA). B 5.57 pIC50 2720 nM IC50 US-9115061-B2. Naphthalene-based inhibitors of anti-apoptotic proteins (2015)
ChEMBL Displacement of FITC-labeled Bak BH3 peptide from Bcl-XL after 30 mins by fluorescence polarization assay B 6.27 pIC50 540 nM IC50 J Med Chem (2010) 53: 4166-4176 [PMID:20443627]
ChEMBL Inhibitory concentration against Bcl-xl B 6.3 pIC50 500 nM IC50 J Med Chem (2003) 46: 4259-4264 [PMID:13678404]
ChEMBL Inhibition of Bcl-xL B 6.32 pIC50 480 nM IC50 J Med Chem (2010) 53: 2577-2588 [PMID:20192224]
ChEMBL Displacement of FITC-labeled Bak BH3 peptide from Bcl-XL after 30 mins by fluorescence polarization assay B 6.32 pIC50 480 nM IC50 J Med Chem (2010) 53: 4166-4176 [PMID:20443627]
Aspartyl/asparaginyl beta-hydroxylase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4680030] [UniProtKB: Q12797]
ChEMBL Inhibition of N-His6-tagged human AspH (315-755) expressed in Escherichia coli BL21 (DE3) using high 10 uM hFX-CP as substrate mixture with 10 uM 2OG, 100 uM L-ascorbic acid and 2 uM FAS incubated for 35 mins by MS analysis B 6.48 pIC50 330 nM IC50 Bioorg Med Chem (2020) 28: 115675-115675 [PMID:33069066]
ChEMBL Inhibition of N-His6-tagged human AspH (315-755) expressed in Escherichia coli BL21 (DE3) using 1 uM hFX-CP as substrate mixture with 3 uM 2OG, 100 uM L-ascorbic acid and high 20 uM FAS incubated for 35 mins by MS analysis B 6.59 pIC50 260 nM IC50 Bioorg Med Chem (2020) 28: 115675-115675 [PMID:33069066]
ChEMBL Inhibition of N-His6-tagged human AspH (315-755) expressed in Escherichia coli BL21 (DE3) using 1 uM hFX-CP as substrate mixture with 3 uM 2OG, 100 uM L-ascorbic acid and 2 uM FAS incubated for 35 mins by MS analysis B 6.6 pIC50 250 nM IC50 Bioorg Med Chem (2020) 28: 115675-115675 [PMID:33069066]
ChEMBL Inhibition of N-His6-tagged human AspH (315-755) expressed in Escherichia coli BL21 (DE3) using 1 uM hFX-CP as substrate mixture with high 200 uM 2OG, 100 uM L-ascorbic acid and 2 uM FAS incubated for 35 mins by MS analysis B 6.6 pIC50 250 nM IC50 Bioorg Med Chem (2020) 28: 115675-115675 [PMID:33069066]
Bcl2-antagonist of cell death (BAD) in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3817] [UniProtKB: Q92934]
ChEMBL Binding affinity to Bcl-2 (unknown origin) by fluorescence polarization competition assay B 6.34 pKi 460 nM Ki Bioorg Med Chem Lett (2021) 47: 128215-128215 [PMID:34153472]
Beta-lactamase AmpC in Escherichia coli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2026] [UniProtKB: P00811]
ChEMBL Aggregate based-inhibition of Escherichia coli AmpC beta lactamase using stringent assay conditions in presence of 0.01% Triton X-100 detergent B 4.09 pIC50 82000 nM IC50 J Med Chem (2007) 50: 2385-2390 [PMID:17447748]
ChEMBL Inhibition of Escherichia coli AmpC beta lactamase using relaxed assay conditions in presence of 0.00001% Triton X-100 detergent B 4.34 pIC50 46000 nM IC50 J Med Chem (2007) 50: 2385-2390 [PMID:17447748]
DNA-3-methyladenine glycosylase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3396943] [UniProtKB: P29372]
ChEMBL Inhibition of human purified MPG pre-incubated with compound for 10 mins followed by addition of 1,N6 ethenoadenine containing 32P-labeled duplex oligonucleotide substrates by gel-based excision activity assay B 5.52 pIC50 3000 nM IC50 Bioorg Med Chem (2015) 23: 1102-1111 [PMID:25650313]
DNA repair protein RAD52 homolog in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2362978] [UniProtKB: P43351]
ChEMBL Inhibition of FAM-conjugated ssDNA binding to His-tagged wild type RAD52 (unknown origin) expressed in Rosetta2(DE3)/pLysS cells measured after 30 mins by fluorescence polarization assay B 5.3 pIC50 <5000 nM IC50 J Med Chem (2020) 63: 14151-14183 [PMID:33135887]
Glucose transporter 1/Glucose transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2535] [GtoPdb: 875] [UniProtKB: P11166]
ChEMBL Mixed type non-competitive inhibition of glucose displaceable binding of [4-3H]cytochalasin B to GLUT1 in human erythrocyte membranes after 10 mins B 4.7 pKi 20000 nM Ki Medchemcomm (2016) 7: 1716-1729 [PMID:28042452]
MCL1 apoptosis regulator, BCL2 family member/Induced myeloid leukemia cell differentiation protein Mcl-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4361] [GtoPdb: 2847] [UniProtKB: Q07820]
ChEMBL Binding affinity to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by ITC assay B 5.58 pKd 2650 nM Kd Eur J Med Chem (2013) 60: 410-420 [PMID:23314054]
ChEMBL Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis B 5.58 pKd 2650 nM Kd Eur J Med Chem (2013) 59: 141-149 [PMID:23220642]
ChEMBL Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis B 5.58 pKd 2630.27 nM Kd Eur J Med Chem (2013) 59: 141-149 [PMID:23220642]
ChEMBL Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by ITC assay B 5.63 pKd 2324 nM Kd Bioorg Med Chem (2013) 21: 11-20 [PMID:23206987]
ChEMBL Inhibition of recombinant His6-tagged MCL1 (171-326) expressed in Escherichia coli BL21 (DE3) and Flu-Bak peptide interaction by fluorescence polarization assay B 5.18 pKi 6543 nM Ki J Med Chem (2009) 52: 5937-5949 [PMID:19743858]
ChEMBL Inhibition of 5-FAM-Bid peptide binding to MCL-1 (unknown origin) by fluorescence polarization assay B 6.19 pKi 640 nM Ki Bioorg Med Chem Lett (2016) 26: 5207-5211 [PMID:27712939]
ChEMBL Competitive binding affinity to Mcl-1 (unknown origin) using 5-FAM-Bid-BH3 peptide preincubated for 30 mins before 5-FAM-Bid-BH3 peptide addition and measured 20 mins after 5-FAM-Bid-BH3 peptide addition by fluorescence polarization assay B 6.41 pKi 390 nM Ki Bioorg Med Chem (2015) 23: 7685-7693 [PMID:26620718]
ChEMBL Inhibition of Mcl-1 (unknown origin) by fluorescence polarization assay B 6.51 pKi 310 nM Ki Bioorg Med Chem Lett (2015) 25: 5265-5269 [PMID:26421995]
ChEMBL Displacement of FAM-Bim peptide from human Mcl1 by fluorescence polarization assay B 6.55 pKi 280 nM Ki J Med Chem (2007) 50: 3163-3166 [PMID:17552510]
ChEMBL Displacement of FAM-Bid peptide from N-terminal 8x His-tagged MCl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluorescence polarization assay B 6.59 pKi 260 nM Ki J Med Chem (2016) 59: 3152-3162 [PMID:26982372]
ChEMBL Inhibition of biotin-Bim peptide binding to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by ELISA B 6.67 pKi 213.8 nM Ki Eur J Med Chem (2013) 60: 410-420 [PMID:23314054]
ChEMBL Inhibition of 6-carboxyfluorescein succinimidyl ester fluorescence tagged-Bid BH3 peptide (79 to 99 residues) binding to Mcl-1 (unknown origin) after 30 mins by fluorescence polarization assay B 6.7 pKi 200 nM Ki Bioorg Med Chem Lett (2017) 27: 1943-1948 [PMID:28343875]
ChEMBL Displacement of FAM-Bid BH3 peptide from recombinant Mcl-1 (unknown origin) expressed in Escherichia coli BL21 after 10 mins by fluorescence polarization assay B 6.72 pKi 190 nM Ki Eur J Med Chem (2013) 69: 711-718 [PMID:24095762]
ChEMBL Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins by fluorescence polarization assay B 6.72 pKi 190 nM Ki Bioorg Med Chem (2021) 29: 115851-115851 [PMID:33218896]
ChEMBL Inhibition of FAM-Bid peptide binding to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization-based binding assay B 6.72 pKi 190 nM Ki Eur J Med Chem (2013) 60: 410-420 [PMID:23314054]
ChEMBL Binding affinity to Mc1-1 (unknown origin) by fluorescence polarization competition assay B 6.74 pKi 180 nM Ki Bioorg Med Chem Lett (2021) 47: 128215-128215 [PMID:34153472]
ChEMBL Binding affinity to MCL1 B 6.74 pKi 180 nM Ki J Med Chem (2010) 53: 6779-6810 [PMID:20925433]
ChEMBL Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition measured after 20 mins by fluorescence polarization assay B 6.74 pKi 180 nM Ki Bioorg Med Chem (2017) 25: 138-152 [PMID:27810438]
ChEMBL Inhibition of MCl-1 (unknown origin) B 6.74 pKi 180 nM Ki Eur J Med Chem (2019) 177: 63-75 [PMID:31129454]
ChEMBL Displacement of FAM-Bid from human Mcl1 by FP assay B 6.74 pKi 180 nM Ki J Med Chem (2006) 49: 6139-6142 [PMID:17034116]
ChEMBL Inhibition of FAM-Bid binding to human MCL1 expressed in Escherichia coli BL21 after 30 mins by fluorescence polarization assay B 6.79 pKi 162 nM Ki ACS Med Chem Lett (2016) 7: 1185-1190 [PMID:27994761]
ChEMBL Inhibition of FAM-Bid peptide binding to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization-based binding assay B 5.32 pIC50 4800 nM IC50 Eur J Med Chem (2013) 60: 410-420 [PMID:23314054]
ChEMBL Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins by fluorescence polarization assay B 5.82 pIC50 1520 nM IC50 Bioorg Med Chem (2021) 29: 115851-115851 [PMID:33218896]
ChEMBL Inhibition of FAM-Bid binding to human MCL1 expressed in Escherichia coli BL21 after 30 mins by fluorescence polarization assay B 6.07 pIC50 856 nM IC50 ACS Med Chem Lett (2016) 7: 1185-1190 [PMID:27994761]
ChEMBL Inhibition of biotin-Bim peptide binding to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by ELISA B 6.77 pIC50 170 nM IC50 Eur J Med Chem (2013) 60: 410-420 [PMID:23314054]
Inosine-5`-monophosphate dehydrogenase in Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM14847 / LMG 12228 / 1C / PRS 101 / PAO1) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523953] [UniProtKB: Q9HXM5]
ChEMBL Inhibition of Pseudomonas aeruginosa IMPDH using IMP as substrate in the presence of NAD+ incubated for 70 secs B 6.05 pIC50 900 nM IC50 Eur J Med Chem (2019) 167: 124-132 [PMID:30769241]
kinesin-5/Kinesin-like protein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4581] [GtoPdb: 2788] [UniProtKB: P52732]
ChEMBL Inhibition of KSP B 4.6 pIC50 25000 nM IC50 Bioorg Med Chem Lett (2007) 17: 722-726 [PMID:17095225]
ChEMBL Inhibition of human recombinant Eg5 ATPase activity expressed in Escherichia coli after 30 mins by malachite green-based spectrophotometric analysis B 4.97 pIC50 10800 nM IC50 Eur J Med Chem (2013) 62: 614-631 [PMID:23434636]
Lactate dehydrogenase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6071] [UniProtKB: Q0PJ46]
ChEMBL Inhibition of Plasmodium falciparum LDH B 5.58 pIC50 2640 nM IC50 J Med Chem (2007) 50: 3841-3850 [PMID:17636950]
L-lactate dehydrogenase A chain in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4835] [UniProtKB: P00338]
ChEMBL Competitive inhibition of human LDH5 in presence of NADH B 5.72 pKi 1900 nM Ki J Med Chem (2016) 59: 487-496 [PMID:26340601]
ChEMBL Inhibition of LDHA (unknown origin) B 5.72 pKi 1900 nM Ki Medchemcomm (2017) 8: 1720-1726 [PMID:30108883]
L-lactate dehydrogenase B chain in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4940] [UniProtKB: P07195]
ChEMBL Competitive inhibition of human LDH1 in presence of NADH B 5.85 pKi 1400 nM Ki J Med Chem (2016) 59: 487-496 [PMID:26340601]
Malate dehydrogenase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6072] [UniProtKB: Q6VVP7]
ChEMBL Inhibition of Plasmodium falciparum MDH B 5.69 pIC50 2030 nM IC50 J Med Chem (2007) 50: 3841-3850 [PMID:17636950]
Malate dehydrogenase cytoplasmic in Pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4048] [UniProtKB: P11708]
ChEMBL Inhibition of pig cytosolic MDH B 5.24 pIC50 5800 nM IC50 J Med Chem (2007) 50: 3841-3850 [PMID:17636950]
Malate dehydrogenase mitochondrial in Pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3444] [UniProtKB: P00346]
ChEMBL Inhibition of pig heart mitochondrial MDH B 5.55 pIC50 2800 nM IC50 J Med Chem (2007) 50: 3841-3850 [PMID:17636950]
MDM2 proto-oncogene/p53-binding protein Mdm-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5023] [GtoPdb: 3136] [UniProtKB: Q00987]
ChEMBL Displacement of FAM-p53TAD peptide from N-terminal 8x His-tagged human MDM2 (25 to 108 residues) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluorescence polarization assay B 4.6 pKi >25000 nM Ki J Med Chem (2016) 59: 3152-3162 [PMID:26982372]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Antiplasmodial activity against Plasmodium falciparum 3D7 F 4.32 pIC50 47900 nM IC50 J Nat Prod (2008) 71: 516-519 [PMID:18290629]
ChEMBL Antimalarial activity against chloroquine-resistant Plasmodium falciparum FCB/NC1 F 4.89 pIC50 13000 nM IC50 J Med Chem (1986) 29: 1799-1801 [PMID:3528492]
ChEMBL Antiplasmodial activity against Plasmodium falciparum 3D7 F 4.92 pIC50 12000 nM IC50 J Nat Prod (2008) 71: 516-519 [PMID:18290629]
ChEMBL Antimalarial activity against chloroquine-sensitive Plasmodium falciparum CDC/I/HB-3 F 5.15 pIC50 7000 nM IC50 J Med Chem (1986) 29: 1799-1801 [PMID:3528492]
ChEMBL Antiplasmodial activity against Plasmodium falciparum 3D7 F 5.35 pIC50 4500 nM IC50 J Nat Prod (2008) 71: 516-519 [PMID:18290629]

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]