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BDBM50067033 (2E,6E)-2,6-bis(4-hydroxy-3-methoxybenzylidene)cyclohexanone::2,6-Bis((3-methoxy-4-hydroxyphenyl)methylene)-cyclohexanone::2,6-Bis-(4-hydroxy-3-methoxy-benzylidene)-cyclohexanone::2,6-Bis-[1-(4-hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene]-cyclohexanone::2,6-bis(4-hydroxy-3-methoxybenzylidene)cyclohexanone::CHEMBL17205::Cyclovalone::US9187397, 38a::cid_1550234
SMILES: COc1cc(\C=C2/CCC\C(=C/c3ccc(O)c(OC)c3)C2=O)ccc1O
InChI Key: InChIKey=DHKKONBXGAAFTB-OTYYAQKOSA-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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| nucleotide-binding oligomerization domain containing 2 (Homo sapiens (Human)) | BDBM50067033 ((2E,6E)-2,6-bis(4-hydroxy-3-methoxybenzylidene)cyc...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet  | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 3.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R8T | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human)) | BDBM50067033 ((2E,6E)-2,6-bis(4-hydroxy-3-methoxybenzylidene)cyc...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 4.94E+3 | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2CN72C0 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Tumor necrosis factor (Homo sapiens (Human)) | BDBM50067033 ((2E,6E)-2,6-bis(4-hydroxy-3-methoxybenzylidene)cyc...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q25M6443 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Nuclear factor NF-kappa-B (NF-kB) (Homo sapiens (Human)) | BDBM50067033 ((2E,6E)-2,6-bis(4-hydroxy-3-methoxybenzylidene)cyc...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
STC.UNM US Patent | Assay Description TRAP Assay: The first procedure called for antioxidant activity to be measured as the ability of the analogs to react with the pre-formed radical mon... | US Patent US9187397 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NF9 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Coagulation factor VII/tissue factor (Homo sapiens (Human)) | BDBM50067033 ((2E,6E)-2,6-bis(4-hydroxy-3-methoxybenzylidene)cyc...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | >200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of tissue factor in Homo sapiens (human) THP1-cells using factor 10a chromogenic substrate assessed as inhibition of LPS-iduced procoagula... | Citation and Details Article DOI: 10.1007/s00044-012-0330-5 BindingDB Entry DOI: 10.7270/Q23F4SJ7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Nuclear factor NF-kappa-B (NF-kB) (Homo sapiens (Human)) | BDBM50067033 ((2E,6E)-2,6-bis(4-hydroxy-3-methoxybenzylidene)cyc...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
STC.UNM US Patent | Assay Description The 293T/NF-κB-luc cells were re-plated 24 hr prior to treatment, into 24-well cell culture plates in media without hygromycin, to prevent it from... | US Patent US9187397 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NF9 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histone acetyltransferase p300 (Homo sapiens (Human)) | BDBM50067033 ((2E,6E)-2,6-bis(4-hydroxy-3-methoxybenzylidene)cyc...) | PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.11E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Roma La Sapienza Curated by ChEMBL | Assay Description Inhibition of GST-p300 HAT assessed as histone acetylation | J Med Chem 50: 1973-7 (2007) Article DOI: 10.1021/jm060943s BindingDB Entry DOI: 10.7270/Q2WM1D3K | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM50067033 ((2E,6E)-2,6-bis(4-hydroxy-3-methoxybenzylidene)cyc...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Roma"La Sapienza" Curated by ChEMBL | Assay Description Compound concentration required to reduce HIV-1 Integrase 3'-processing activity by 50% | J Med Chem 41: 3948-60 (1998) Article DOI: 10.1021/jm9707232 BindingDB Entry DOI: 10.7270/Q29024G3 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM50067033 ((2E,6E)-2,6-bis(4-hydroxy-3-methoxybenzylidene)cyc...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee Health Science Center Curated by ChEMBL | Assay Description Inhibitory activity against HIV-1 Integrase (HIV-1-IN) | J Med Chem 45: 841-52 (2002) BindingDB Entry DOI: 10.7270/Q28W3FGV | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Transcription factor AP-1 (Homo sapiens (Human)) | BDBM50067033 ((2E,6E)-2,6-bis(4-hydroxy-3-methoxybenzylidene)cyc...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
STC.UNM US Patent | Assay Description TRAP Assay: The first procedure called for antioxidant activity to be measured as the ability of the analogs to react with the pre-formed radical mon... | US Patent US9187397 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NF9 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
