BDBM50056904 3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid::CHEMBL171637::NSC-685589::Physodic acid, 5::cid_65751::physodic acid

SMILES CCCCCC(=O)Cc1cc(O)cc2Oc3c(OC(=O)c12)cc(O)c(C(O)=O)c3CCCCC

InChI Key InChIKey=KVTYWHGIZSCFLG-UHFFFAOYSA-N

Data  10 IC50  4 EC50

  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 14 hits for monomerid = 50056904   

TargetKinesin-like protein KIF20B(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50056904(3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...)
Affinity DataIC50:  9.90E+3nMAssay Description:Inhibition of basal ATPase activity of N-terminal His6-tagged/SUMO-fused human MPP1 motor domain (57 to 491 residues) expressed in Escherichia coli B...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKinesin-like protein KIF20B(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50056904(3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...)
Affinity DataIC50:  5.80E+3nMAssay Description:Inhibition of microtubule-stimulated ATPase activity of N-terminal His6-tagged/SUMO-fused human MPP1 motor domain (57 to 491 residues) expressed in E...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKinesin-like protein KIF20B(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50056904(3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...)
Affinity DataIC50:  4.60E+3nMAssay Description:Inhibition of microtubule-stimulated ATPase activity of N-terminal His6-tagged/SUMO-fused human MPP1 motor domain (2 to 477 residues) expressed in Es...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCentromere-associated protein E(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50056904(3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...)
Affinity DataIC50:  9.14E+4nMAssay Description:Inhibition of microtubule-stimulated ATPase activity of human CENP-E by pyruvate kinase/lactate dehydrogenase-linked assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCentromere-associated protein E(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50056904(3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...)
Affinity DataIC50:  2.96E+4nMAssay Description:Inhibition of basal ATPase activity of human CENP-E by pyruvate kinase/lactate dehydrogenase-linked assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKinesin-like protein KIF20B(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50056904(3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...)
Affinity DataIC50:  1.04E+4nMAssay Description:Inhibition of basal ATPase activity of N-terminal His6-tagged/SUMO-fused human MPP1 motor domain (2 to 477 residues) expressed in Escherichia coli BL...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056904(3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...)
Affinity DataIC50:  3.09E+4nMAssay Description:Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 1&2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 12 member 5(Homo sapiens (Human))
Vanderbilt Screening Center For Gpcrs, Ion Channels And Transporters

Curated by PubChem BioAssay
LigandPNGBDBM50056904(3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...)
Affinity DataEC50:  4.02E+3nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSolute carrier family 12 member 5(Homo sapiens (Human))
Vanderbilt Screening Center For Gpcrs, Ion Channels And Transporters

Curated by PubChem BioAssay
LigandPNGBDBM50056904(3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...)
Affinity DataEC50:  8.19E+3nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM50056904(3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...)
Affinity DataEC50:  1.59E+4nMAssay Description:Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDual specificity mitogen-activated protein kinase kinase 6(Homo sapiens (Human))
Yale University School Of Medicine

LigandPNGBDBM50056904(3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...)
Affinity DataIC50: >2.50E+5nMAssay Description:The labeled fragment can be distinguished from full-length MKK by a change in fluorescence polarization. MKK6 was used as a substrate because it cou...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056904(3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...)
Affinity DataIC50:  3.85E+4nMAssay Description:Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 1&2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056904(3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...)
Affinity DataIC50:  3.25E+4nMAssay Description:Inhibitory concentration of compound against disintegration (reversal of strand transfer)of HIV-1 integraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 12 member 5(Homo sapiens (Human))
Vanderbilt Screening Center For Gpcrs, Ion Channels And Transporters

Curated by PubChem BioAssay
LigandPNGBDBM50056904(3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...)
Affinity DataEC50:  8.58E+3nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay