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SMILES: CC(=C)CC[C@@H]1[C@@H](CC1(C)C)C(=C)CC\C=C\C(=O)NCCc1ccc(O)c(O)c1
InChI Key: InChIKey=IASJPSZIWIVSEB-ORMBLBCUSA-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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM113768 ((E)-N-(3,4-Dihydroxyphenethyl)-6-((1R,2R)-3,3-dime...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet  | PC cid PC sid UniChem | Article PubMed | 6.50E+3 | -7.19 | n/a | n/a | n/a | n/a | n/a | 7.4 | 30 |
University of Bern , Bühlstrasse 28, CH-3012 Bern, Switzerland. | Assay Description In this assay, 18 ug of crude membrane expressing hCB1 or hCB2 receptors were re-suspended in 300 uL of binding buffer containing 50 mM Tris-HCl, 2.5... | ACS Chem Biol 9: 1499-507 (2014) Article DOI: 10.1021/cb500177c BindingDB Entry DOI: 10.7270/Q2T15295 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM113768 ((E)-N-(3,4-Dihydroxyphenethyl)-6-((1R,2R)-3,3-dime...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | >1.00E+4 | >-6.93 | n/a | n/a | n/a | n/a | n/a | 7.4 | 30 |
University of Bern , Bühlstrasse 28, CH-3012 Bern, Switzerland. | Assay Description In this assay, 18 ug of crude membrane expressing hCB1 or hCB2 receptors were re-suspended in 300 uL of binding buffer containing 50 mM Tris-HCl, 2.5... | ACS Chem Biol 9: 1499-507 (2014) Article DOI: 10.1021/cb500177c BindingDB Entry DOI: 10.7270/Q2T15295 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Prostaglandin G/H synthase 2 (Homo sapiens (Human)) | BDBM113768 ((E)-N-(3,4-Dihydroxyphenethyl)-6-((1R,2R)-3,3-dime...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | 8.0 | 25 |
University of Bern , Bühlstrasse 28, CH-3012 Bern, Switzerland. | Assay Description Tested compounds (50 uM), DuP-597 (0.5 uM; positive control), 11f and 11eie(1 nM - 200 uM ) or vehicle were pre-incubated with COX-FIS assay buffer (... | ACS Chem Biol 9: 1499-507 (2014) Article DOI: 10.1021/cb500177c BindingDB Entry DOI: 10.7270/Q2T15295 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Prostaglandin G/H synthase 2 (Homo sapiens (Human)) | BDBM113768 ((E)-N-(3,4-Dihydroxyphenethyl)-6-((1R,2R)-3,3-dime...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 800 | n/a | n/a | n/a | n/a | 8.0 | 25 |
University of Bern , Bühlstrasse 28, CH-3012 Bern, Switzerland. | Assay Description Tested compounds (50 uM), DuP-597 (0.5 uM; positive control), 11f and 11eie(1 nM - 200 uM ) or vehicle were pre-incubated with COX-FIS assay buffer (... | ACS Chem Biol 9: 1499-507 (2014) Article DOI: 10.1021/cb500177c BindingDB Entry DOI: 10.7270/Q2T15295 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Fatty-acid amide hydrolase 1 (Homo sapiens (Human)) | BDBM113768 ((E)-N-(3,4-Dihydroxyphenethyl)-6-((1R,2R)-3,3-dime...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.6 | 37 |
University of Bern , Bühlstrasse 28, CH-3012 Bern, Switzerland. | Assay Description In this assay, 0.05 Units of hFAAH was pre-incubated for 30 min at 37 C with 2 uL of 11a, 11b, 11f at different concentrations (0.01 - 100 uM) or veh... | ACS Chem Biol 9: 1499-507 (2014) Article DOI: 10.1021/cb500177c BindingDB Entry DOI: 10.7270/Q2T15295 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
