BDBM11021 (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol::trans,trans-Farnesol

SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]

InChI Key InChIKey=CRDAMVZIKSXKFV-YFVJMOTDSA-N

Data  7 KI  3 IC50

PDB links: 6 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 10 hits for monomerid = 11021   

TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Emory University

LigandPNGBDBM11021((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...)
Affinity DataKi:  800nM ΔG°:  -8.31kcal/molepH: 7.4 T: 2°CAssay Description:MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...More data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Emory University

LigandPNGBDBM11021((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...)
Affinity DataKi:  2.30E+3nM ΔG°:  -7.69kcal/molepH: 7.5 T: 2°CAssay Description:MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...More data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] B(Mus musculus)
Emory University

LigandPNGBDBM11021((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...)
Affinity DataKi:  2.40E+3nM ΔG°:  -7.66kcal/molepH: 7.4 T: 2°CAssay Description:MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...More data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] B(Rattus norvegicus (rat))
Emory University

LigandPNGBDBM11021((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...)
Affinity DataKi:  5.00E+3nM ΔG°:  -7.23kcal/molepH: 7.4 T: 2°CAssay Description:MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...More data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] B [I199F](Homo sapiens (Human))
Emory University

LigandPNGBDBM11021((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...)
Affinity DataKi: >1.00E+6nMAssay Description:MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...More data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] B(Bos taurus)
Emory University

LigandPNGBDBM11021((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...)
Affinity DataKi: >1.00E+6nM ΔG°: >-4.09kcal/molepH: 7.4 T: 2°CAssay Description:MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...More data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Emory University

LigandPNGBDBM11021((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...)
Affinity DataKi: >1.00E+6nM ΔG°: >-4.09kcal/molepH: 7.5 T: 2°CAssay Description:MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 1A1(Homo sapiens (Human))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM11021((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...)
Affinity DataIC50:  4.00E+4nMAssay Description:Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in estradiol 3-glucuronidation by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 1A1(Homo sapiens (Human))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM11021((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...)
Affinity DataIC50:  4.70E+4nMAssay Description:Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in bilirubin glucuronidation by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuraminidase(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
University Of Innsbruck

Curated by ChEMBL
LigandPNGBDBM11021((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...)
Affinity DataIC50:  8.14E+4nMAssay Description:Inhibition of Influenza Virus A/PR/8/34 neuraminidase chemiluminescence-based enzyme inhibition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed