BDBM50237536 6-Shogaol::CHEBI:10138::SHOGAOL::Trans-6-Shogaol

SMILES: CCCCC\C=C\C(=O)CCc1ccc(O)c(OC)c1

InChI Key: InChIKey=OQWKEEOHDMUXEO-BQYQJAHWSA-N

Data: 14 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50237536   

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
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50237536 (6-Shogaol | CHEBI:10138 | SHOGAOL | Trans-6-Shogao...) Show SMILES CCCCC\C=C\C(=O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by HPLC analysis				Bioorg Med Chem Lett 27: 1826-1830 (2017) Article DOI: 10.1016/j.bmcl.2017.02.047 BindingDB Entry DOI: 10.7270/Q2VD71Q0
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50237536 (6-Shogaol | CHEBI:10138 | SHOGAOL | Trans-6-Shogao...) Show SMILES CCCCC\C=C\C(=O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Inhibition of CYP2A6 in human liver microsomes using Coumarin as substrate preincubated for 10 mins followed by NADPH addition measured after 15 mins				Bioorg Med Chem Lett 27: 1826-1830 (2017) Article DOI: 10.1016/j.bmcl.2017.02.047 BindingDB Entry DOI: 10.7270/Q2VD71Q0
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50237536 (6-Shogaol | CHEBI:10138 | SHOGAOL | Trans-6-Shogao...) Show SMILES CCCCC\C=C\C(=O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Binding affinity towards human Melanocortin 1 receptor (hMC1R)				Bioorg Med Chem Lett 27: 1826-1830 (2017) Article DOI: 10.1016/j.bmcl.2017.02.047 BindingDB Entry DOI: 10.7270/Q2VD71Q0
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM50237536 (6-Shogaol | CHEBI:10138 | SHOGAOL | Trans-6-Shogao...) Show SMILES CCCCC\C=C\C(=O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 10 mins followed by NADPH addition measured after 20...				Bioorg Med Chem Lett 27: 1826-1830 (2017) Article DOI: 10.1016/j.bmcl.2017.02.047 BindingDB Entry DOI: 10.7270/Q2VD71Q0
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50237536 (6-Shogaol | CHEBI:10138 | SHOGAOL | Trans-6-Shogao...) Show SMILES CCCCC\C=C\C(=O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate by HPLC analysis				Bioorg Med Chem Lett 27: 1826-1830 (2017) Article DOI: 10.1016/j.bmcl.2017.02.047 BindingDB Entry DOI: 10.7270/Q2VD71Q0
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50237536 (6-Shogaol | CHEBI:10138 | SHOGAOL | Trans-6-Shogao...) Show SMILES CCCCC\C=C\C(=O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mi...				Bioorg Med Chem Lett 27: 1826-1830 (2017) Article DOI: 10.1016/j.bmcl.2017.02.047 BindingDB Entry DOI: 10.7270/Q2VD71Q0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50237536 (6-Shogaol | CHEBI:10138 | SHOGAOL | Trans-6-Shogao...) Show SMILES CCCCC\C=C\C(=O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 expressed in baculosomes using Vivid BOMR substrate red measured every 30 sec for 30 mins by fluorescence assa...				Bioorg Med Chem Lett 27: 1826-1830 (2017) Article DOI: 10.1016/j.bmcl.2017.02.047 BindingDB Entry DOI: 10.7270/Q2VD71Q0
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50237536 (6-Shogaol | CHEBI:10138 | SHOGAOL | Trans-6-Shogao...) Show SMILES CCCCC\C=C\C(=O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Inhibition of CYP2C8 in human liver microsomes using amodiaquin as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mi...				Bioorg Med Chem Lett 27: 1826-1830 (2017) Article DOI: 10.1016/j.bmcl.2017.02.047 BindingDB Entry DOI: 10.7270/Q2VD71Q0
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50237536 (6-Shogaol | CHEBI:10138 | SHOGAOL | Trans-6-Shogao...) Show SMILES CCCCC\C=C\C(=O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description In vitro agonist potency was evaluated in HEK293 cells transfected with human melanocortin receptor (hMC1R)				Bioorg Med Chem Lett 27: 1826-1830 (2017) Article DOI: 10.1016/j.bmcl.2017.02.047 BindingDB Entry DOI: 10.7270/Q2VD71Q0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50237536 (6-Shogaol | CHEBI:10138 | SHOGAOL | Trans-6-Shogao...) Show SMILES CCCCC\C=C\C(=O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition measured after 5 mins				Bioorg Med Chem Lett 27: 1826-1830 (2017) Article DOI: 10.1016/j.bmcl.2017.02.047 BindingDB Entry DOI: 10.7270/Q2VD71Q0
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM50237536 (6-Shogaol | CHEBI:10138 | SHOGAOL | Trans-6-Shogao...) Show SMILES CCCCC\C=C\C(=O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate by HPLC analysis				Bioorg Med Chem Lett 27: 1826-1830 (2017) Article DOI: 10.1016/j.bmcl.2017.02.047 BindingDB Entry DOI: 10.7270/Q2VD71Q0
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50237536 (6-Shogaol | CHEBI:10138 | SHOGAOL | Trans-6-Shogao...) Show SMILES CCCCC\C=C\C(=O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 10 mins followed by NADPH addition measured after 20 min...				Bioorg Med Chem Lett 27: 1826-1830 (2017) Article DOI: 10.1016/j.bmcl.2017.02.047 BindingDB Entry DOI: 10.7270/Q2VD71Q0
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50237536 (6-Shogaol | CHEBI:10138 | SHOGAOL | Trans-6-Shogao...) Show SMILES CCCCC\C=C\C(=O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition measured after...				Bioorg Med Chem Lett 27: 1826-1830 (2017) Article DOI: 10.1016/j.bmcl.2017.02.047 BindingDB Entry DOI: 10.7270/Q2VD71Q0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50237536 (6-Shogaol | CHEBI:10138 | SHOGAOL | Trans-6-Shogao...) Show SMILES CCCCC\C=C\C(=O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 10 mins followed by NADPH addition measured after 10 ...				Bioorg Med Chem Lett 27: 1826-1830 (2017) Article DOI: 10.1016/j.bmcl.2017.02.047 BindingDB Entry DOI: 10.7270/Q2VD71Q0
					More data for this Ligand-Target Pair