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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Amine oxidase [flavin-containing] B (Homo sapiens (Human)) | BDBM11021 ((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 800 | -8.31 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Emory University | Assay Description MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ... | J Biol Chem 280: 15761-6 (2005) Article DOI: 10.1074/jbc.M500949200 BindingDB Entry DOI: 10.7270/Q2DR2SP5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Amine oxidase [flavin-containing] B (Homo sapiens (Human)) | BDBM11021 ((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 2.30E+3 | -7.69 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Emory University | Assay Description MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ... | J Biol Chem 280: 15761-6 (2005) Article DOI: 10.1074/jbc.M500949200 BindingDB Entry DOI: 10.7270/Q2DR2SP5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Monoamine Oxidase Type B (MAO-B) (Mus musculus) | BDBM11021 ((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 2.40E+3 | -7.66 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Emory University | Assay Description MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ... | J Biol Chem 280: 15761-6 (2005) Article DOI: 10.1074/jbc.M500949200 BindingDB Entry DOI: 10.7270/Q2DR2SP5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat)) | BDBM11021 ((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 5.00E+3 | -7.23 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Emory University | Assay Description MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ... | J Biol Chem 280: 15761-6 (2005) Article DOI: 10.1074/jbc.M500949200 BindingDB Entry DOI: 10.7270/Q2DR2SP5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Monoamine oxidase type B (MAO-B) Mutant (I199F) (Homo sapiens (Human)) | BDBM11021 ((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...) | PDB MMDB B.MOAD GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University | Assay Description MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ... | J Biol Chem 280: 15761-6 (2005) Article DOI: 10.1074/jbc.M500949200 BindingDB Entry DOI: 10.7270/Q2DR2SP5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Monoamine Oxidase Type B (MAO-B) (Bos taurus) | BDBM11021 ((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | >1.00E+6 | >-4.09 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Emory University | Assay Description MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ... | J Biol Chem 280: 15761-6 (2005) Article DOI: 10.1074/jbc.M500949200 BindingDB Entry DOI: 10.7270/Q2DR2SP5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Amine oxidase (flavin-containing) A (Homo sapiens (Human)) | BDBM11021 ((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >1.00E+6 | >-4.09 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Emory University | Assay Description MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ... | J Biol Chem 280: 15761-6 (2005) Article DOI: 10.1074/jbc.M500949200 BindingDB Entry DOI: 10.7270/Q2DR2SP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Uridine-5'-diphosphoglucuronosyltransferase 1A1 (Homo sapiens (Human)) | BDBM11021 ((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...) | UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in estradiol 3-glucuronidation by LC-MS/MS method | Drug Metab Dispos 39: 322-9 (2011) Article DOI: 10.1124/dmd.110.035030 BindingDB Entry DOI: 10.7270/Q2PC343R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Uridine-5'-diphosphoglucuronosyltransferase 1A1 (Homo sapiens (Human)) | BDBM11021 ((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...) | UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 4.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in bilirubin glucuronidation by LC-MS/MS method | Drug Metab Dispos 39: 322-9 (2011) Article DOI: 10.1124/dmd.110.035030 BindingDB Entry DOI: 10.7270/Q2PC343R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuraminidase A (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM11021 ((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 8.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description Inhibition of Influenza Virus A/PR/8/34 neuraminidase chemiluminescence-based enzyme inhibition assay | J Med Chem 53: 778-86 (2010) Article DOI: 10.1021/jm901440f BindingDB Entry DOI: 10.7270/Q2QV3MKZ | |||||||||||
More data for this Ligand-Target Pair |