BDBM23223 7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-yl)naphthalen-2-yl]-2,3,8-trihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1-carbaldehyde::CHEMBL51483::Gossypol::Gossypol (C9)::Gossypol, 4::Pogosin::Tash 1::US9115061, Gossypol::cid_3503

SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O

InChI Key InChIKey=QBKSWRVVCFFDOT-UHFFFAOYSA-N

Data  52 KI  46 IC50  6 Kd

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 46 hits for monomerid = 23223   

TargetMalate dehydrogenase, cytoplasmic(Sus scrofa (pig))
University of Mississippi

LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  5.80E+3nMAssay Description:MDH was assayed spectrophotometrically for reduction of oxaloacetic acid using NADH by recording the changed in absorbance at 340 nm. The reaction wa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  2.55E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEukaryotic translation initiation factor 4 gamma 1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  6.40E+4nMAssay Description:Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Wuhan University School Of Pharmaceutical Sciences

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  1.52E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetL-lactate dehydrogenase(Plasmodium falciparum)
University of Mississippi

LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  3.97E+3nMAssay Description:Enzyme assay using recombinant pfLDH and mLDH (bovine heart).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetL-lactate dehydrogenase(Bos taurus (Bovine))
University of Mississippi

LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  6.90E+3nMAssay Description:Enzyme assay using recombinant pfLDH and mLDH (bovine heart).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Depaul University

LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  1.23E+3nMpH: 7.5 T: 2°CAssay Description:All assays were performed at 100 µL total volume in triplicate and monitored for 60 minutes at room temperature in a 96-well plate format in HEPES Bu...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-like protein 1(Homo sapiens (Human))
Second Military Medical University

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  2.72E+3nMT: 2°CAssay Description:A Bak BH3 peptide (F-BakBH3) (GQVGRQLAIIGDDINR) was labeled at the N-terminus with fluorescein isothiocyanate (FITC) (Molecular Probes) and purified ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  300nMAssay Description:Displacement of FITC-labeled Bak BH3 peptide from Bcl-2 after 30 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-like protein 1(Homo sapiens (Human))
Second Military Medical University

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  540nMAssay Description:Displacement of FITC-labeled Bak BH3 peptide from Bcl-XL after 30 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 1B3(Homo sapiens (Human))
Ku Leuven

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  4.57E+3nMAssay Description:pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Ku Leuven

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  3.24E+3nMAssay Description:pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  500nMAssay Description:Binding affinity to human Bcl2 by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA-3-methyladenine glycosylase(Homo sapiens (Human))
Georgetown University

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  3.00E+3nMAssay Description:Inhibition of human purified MPG pre-incubated with compound for 10 mins followed by addition of 1,N6 ethenoadenine containing 32P-labeled duplex oli...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-lactamase(Escherichia coli)
University Of California San Francisco

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  4.60E+4nMAssay Description:Inhibition of Escherichia coli AmpC beta lactamase using relaxed assay conditions in presence of 0.00001% Triton X-100 detergentMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-lactamase(Escherichia coli)
University Of California San Francisco

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  8.20E+4nMAssay Description:Aggregate based-inhibition of Escherichia coli AmpC beta lactamase using stringent assay conditions in presence of 0.01% Triton X-100 detergentMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-like protein 1(Homo sapiens (Human))
Second Military Medical University

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  500nMAssay Description:Inhibitory concentration against Bcl-xlMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKinesin-like protein KIF11(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  2.50E+4nMAssay Description:Inhibition of KSPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Wuhan University School Of Pharmaceutical Sciences

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  856nMAssay Description:Inhibition of FAM-Bid binding to human MCL1 expressed in Escherichia coli BL21 after 30 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  1.19E+3nMAssay Description:Inhibition of FAM-Bid binding to human BCL2 expressed in Escherichia coli BL21 after 30 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  2.11E+3nMAssay Description:Inhibition of Bcl-2 (unknown origin) after 15 hrs by FRET methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKinesin-like protein KIF11(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  1.08E+4nMAssay Description:Inhibition of human recombinant Eg5 ATPase activity expressed in Escherichia coli after 30 mins by malachite green-based spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Wuhan University School Of Pharmaceutical Sciences

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  4.80E+3nMAssay Description:Inhibition of FAM-Bid peptide binding to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization-based binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Wuhan University School Of Pharmaceutical Sciences

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  170nMAssay Description:Inhibition of biotin-Bim peptide binding to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  300nMAssay Description:Displacement of FITC-labeled Bak BH3 peptide from Bcl-2 after 30 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-like protein 1(Homo sapiens (Human))
Second Military Medical University

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  540nMAssay Description:Displacement of FITC-labeled Bak BH3 peptide from Bcl-XL after 30 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  600nMAssay Description:Inhibition of biotinylated Bim peptide binding to His-tagged Bcl-2 (unknown origin) preincubated for 1 hr followed by biotinylated Bim peptide additi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target60 kDa heat shock protein, mitochondrial(Homo sapiens)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  1.20E+3nMAssay Description:Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  430nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetChaperonin GroEL(Escherichia coli)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50: >2.50E+5nMAssay Description:Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  660nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  1.10E+4nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInosine-5'-monophosphate dehydrogenase(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)
France

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  900nMAssay Description:Inhibition of Pseudomonas aeruginosa IMPDH using IMP as substrate in the presence of NAD+ incubated for 70 secsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA repair protein RAD52 homolog(Homo sapiens)
Istituto Italiano Di Tecnologia

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50: <5.00E+3nMAssay Description:Inhibition of FAM-conjugated ssDNA binding to His-tagged wild type RAD52 (unknown origin) expressed in Rosetta2(DE3)/pLysS cells measured after 30 mi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAspartyl/asparaginyl beta-hydroxylase(Homo sapiens)
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  250nMAssay Description: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 u...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAspartyl/asparaginyl beta-hydroxylase(Homo sapiens)
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  250nMAssay Description: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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAspartyl/asparaginyl beta-hydroxylase(Homo sapiens)
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  260nMAssay Description: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 u...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAspartyl/asparaginyl beta-hydroxylase(Homo sapiens)
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  330nMAssay Description: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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Wuhan University School Of Pharmaceutical Sciences

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  1.52E+3nMAssay Description:Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  600nMAssay Description:Displacement of biotinylated Bim peptide from Bcl-2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTransitional endoplasmic reticulum ATPase(Homo sapiens (Human))TBA
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  6.53E+3nMAssay Description:In vitro inhibitory activity against beta-2 adrenergic receptor was measured by the inhibition of isoproterenol-induced relaxation of PGF2-alpha cont...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMalate dehydrogenase, mitochondrial(Sus scrofa (pig))
University of Mississippi

LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  2.80E+3nMAssay Description:MDH was assayed spectrophotometrically for reduction of oxaloacetic acid using NADH by recording the changed in absorbance at 340 nm. The reaction wa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetL-lactate dehydrogenase(Plasmodium falciparum)
University of Mississippi

LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  2.03E+3nMAssay Description:MDH was assayed spectrophotometrically for reduction of oxaloacetic acid using NADH by recording the changed in absorbance at 340 nm. The reaction wa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAndrogen receptor(Homo sapiens (Human))TBA
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  7.16E+3nMAssay Description:Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of radioligand [3H]GR-65630.More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetL-lactate dehydrogenase(Plasmodium falciparum)
University of Mississippi

LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  2.64E+3nMpH: 7.0 T: 2°CAssay Description:LDH was assayed spectrophotometrically for reduction of pyruvate using NADH by recording the changed in absorbance at 340 nm. The reaction was initia...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetL-lactate dehydrogenase B chain(Bos taurus (bovine))
University of Mississippi

LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Affinity DataIC50:  9.54E+3nMpH: 7.0 T: 2°CAssay Description:LDH was assayed spectrophotometrically for reduction of pyruvate using NADH by recording the changed in absorbance at 340 nm. The reaction was initia...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed