BDBM35525 3,3''''-methylenebis(4-hydroxy-coumarin::3,3''''-methylenebis(4-hydroxycoumarin)::3,3''''-methylenebis[4-hydroxycoumarin::4-hydroxy-3-((4-hydroxy-2-oxo-2H-chromen-3-yl)methyl)-2H-chromen-2-one::Bishydroxycoumarin::CHEMBL1466::DICUMAROL::dicoumarol::symmetric dicoumarol analogue, 1

SMILES Oc1c(Cc2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12

InChI Key InChIKey=DOBMPNYZJYQDGZ-UHFFFAOYSA-N

Data  4 KI  12 IC50  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 35525   

TargetNAD(P)H dehydrogenase [quinone] 1(Rattus norvegicus)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM35525(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)
Affinity DataKi:  1nMAssay Description:Competitive binding affinity to rat liver NQO1 in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetG-protein coupled receptor 35(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM35525(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)
Affinity DataKi:  39nMAssay Description:Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysisChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Washington State University

Curated by ChEMBL
LigandPNGBDBM35525(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)
Affinity DataKi:  600nMAssay Description:Binding affinity was measured on Cytochrome P450 2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2C9(Homo sapiens (Human))
Washington State University

Curated by ChEMBL
LigandPNGBDBM35525(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)
Affinity DataKi:  1.90E+3nMAssay Description:Binding affinity towards cytochrome P450 2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetNAD(P)H dehydrogenase [quinone] 1(Homo sapiens (Human))
University Of Manchester

Curated by ChEMBL
LigandPNGBDBM35525(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)
Affinity DataIC50:  450nMAssay Description:Inhibition of human recombinant NQO1 in presence of BSAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
MMDB

TargetNAD(P)H dehydrogenase [quinone] 1(Homo sapiens (Human))
University Of Manchester

Curated by ChEMBL
LigandPNGBDBM35525(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)
Affinity DataIC50:  5nMAssay Description:Inhibition of human recombinant NQO1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
MMDB

TargetProprotein convertase subtilisin/kexin type 7(Homo sapiens (Human))
Universidade Estadual Paulista

Curated by ChEMBL
LigandPNGBDBM35525(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)
Affinity DataIC50:  1.30E+3nMAssay Description:Inhibition of recombinant type 8 subtilisin using Arg-Glu-(EDANS)- Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys-(DALBCYL)-Arg fluorogenic substrate preincubat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNAD(P)H dehydrogenase [quinone] 1(Homo sapiens (Human))
University Of Manchester

Curated by ChEMBL
LigandPNGBDBM35525(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)
Affinity DataIC50:  450nMAssay Description:Inhibition of human recombinant NQO1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
MMDB

TargetG-protein coupled receptor 35(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM35525(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)
Affinity DataEC50:  1.30E+3nMAssay Description:Agonist activity at human GPR35 expressed in HEK293T cells at 5 uM by EYPF-based beta-arrestin-2 luciferase reporter gene assayChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetG-protein coupled receptor 35(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM35525(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)
Affinity DataEC50:  9.78E+3nMAssay Description:Agonist activity at C-terminal beta-galactosidase tagged human recombinant GPR35 expressed in CHO cells after 90 mins by beta-arrestin recruitment as...Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUrease(Canavalia ensiformis (Jack bean) (Horse bean))
University Of Karachi

Curated by ChEMBL
LigandPNGBDBM35525(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)
Affinity DataIC50:  1.51E+4nMAssay Description:Inhibition of jack bean ureaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Francisella tularensis subsp. tularensis (strain S...)
Naval Research Laboratories

Curated by ChEMBL
LigandPNGBDBM35525(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)
Affinity DataIC50:  4.70E+4nMAssay Description:Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM35525(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)
Affinity DataIC50:  3.99E+4nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetG-protein coupled receptor 35(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM35525(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)
Affinity DataEC50:  1.30E+3nMAssay Description:Agonist activity at human GPR35 expressed in CHO-K1 cells after 90 mins by beta-arrestin 2 recruitment assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM35525(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibitory activity against 3'-processing of DNA by HIV-1 integraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM35525(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)
Affinity DataIC50: >1.00E+5nMAssay Description:Integration of DNA by HIV -1 integraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNAD(P)H dehydrogenase [quinone] 1(Homo sapiens (Human))
University Of Manchester

Curated by ChEMBL
LigandPNGBDBM35525(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)
Affinity DataIC50:  350nMAssay Description:Inhibition of recombinant human NQO1 assessed as reduction in oxidation of NADPH to NADP+ using b-lap as substrate and NADPH in presence of 0.14% (w/...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
MMDB

TargetNAD(P)H dehydrogenase [quinone] 1(Homo sapiens (Human))
University Of Manchester

Curated by ChEMBL
LigandPNGBDBM35525(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)
Affinity DataIC50:  404nMpH: 7.5 T: 2°CAssay Description:Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
MMDB

TargetNAD(P)H dehydrogenase [quinone] 1(Homo sapiens (Human))
University Of Manchester

Curated by ChEMBL
LigandPNGBDBM35525(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)
Affinity DataIC50:  2.60nMpH: 7.5Assay Description:Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
MMDB