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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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50056904   

TargetSolute carrier family 12 member 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 50056904BDBM50056904(cid_65751 | 3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-...)
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 Depth
Date in BDB:
5/25/2011
Entry Details
PCBioAssay
TargetKinesin-like protein KIF20B(Human)
University College London

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50056904BDBM50056904(cid_65751 | 3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-...)
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 Depth
Date in BDB:
7/10/2018
Entry Details Article
PubMed
TargetKinesin-like protein KIF20B(Human)
University College London

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50056904BDBM50056904(cid_65751 | 3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-...)
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 Depth
Date in BDB:
7/10/2018
Entry Details Article
PubMed
TargetSolute carrier family 12 member 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 50056904BDBM50056904(cid_65751 | 3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-...)
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 Depth
Date in BDB:
5/29/2011
Entry Details
PCBioAssay
TargetSolute carrier family 12 member 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 50056904BDBM50056904(cid_65751 | 3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-...)
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 Depth
Date in BDB:
5/25/2011
Entry Details
PCBioAssay
TargetKinesin-like protein KIF20B(Human)
University College London

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50056904BDBM50056904(cid_65751 | 3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-...)
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 Depth
Date in BDB:
7/10/2018
Entry Details Article
PubMed
TargetKinesin-like protein KIF20B(Human)
University College London

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50056904BDBM50056904(cid_65751 | 3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-...)
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 Depth
Date in BDB:
7/10/2018
Entry Details Article
PubMed
TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 50056904BDBM50056904(cid_65751 | 3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-...)
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 Depth
Date in BDB:
6/8/2011
Entry Details
PCBioAssay
TargetCentromere-associated protein E(Human)
University College London

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50056904BDBM50056904(cid_65751 | 3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-...)
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 Depth
Date in BDB:
7/10/2018
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50056904BDBM50056904(cid_65751 | 3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-...)
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 Depth
Date in BDB:
11/6/2012
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50056904BDBM50056904(cid_65751 | 3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-...)
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 Depth
Date in BDB:
11/6/2012
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50056904BDBM50056904(cid_65751 | 3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-...)
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 Depth
Date in BDB:
11/6/2012
Entry Details Article
PubMed
TargetCentromere-associated protein E(Human)
University College London

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50056904BDBM50056904(cid_65751 | 3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-...)
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 Depth
Date in BDB:
7/10/2018
Entry Details Article
PubMed
TargetDual specificity mitogen-activated protein kinase kinase 6(Human)
Yale University School of Medicine

LigandChemical structure of BindingDB Monomer ID 50056904BDBM50056904(cid_65751 | 3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-...)
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 Depth
Date in BDB:
8/17/2012
Entry Details Article
PubMed