Compile Data Set for Download or QSAR

Found 76 hits with Last Name = 'rehman' and Initial = 'su'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50317425 (10-Gingerol | CHEMBL549472) Show SMILES CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+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 2C8 (Homo sapiens (Human))	BDBM50317426 (8-Gingerol | CHEMBL1095671) Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+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 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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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 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 MCE 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 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 B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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 2C19 (Homo sapiens (Human))	BDBM50237535 (6-Paradol | CHEBI:10137 | CHEMBL2071440) Show SMILES CCCCCCCC(=O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate preincubated for 20 mins followed by substrate addition measured a...				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))	BDBM50237535 (6-Paradol | CHEBI:10137 | CHEMBL2071440) Show SMILES CCCCCCCC(=O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Inhibition of human CYP2C8 using paclitaxel as substrate incubated for 5 mins followed by NADPH addition measured after 30 mins by LC-MS/MS 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 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 B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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 2B6 (Homo sapiens (Human))	BDBM50317425 (10-Gingerol | CHEMBL549472) Show SMILES CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+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 2C8 (Homo sapiens (Human))	BDBM50237535 (6-Paradol | CHEBI:10137 | CHEMBL2071440) Show SMILES CCCCCCCC(=O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+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 assessed as enzyme-mediated metabolite formation using paclitaxel as substrate incubated for 5 mins fo...				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))	BDBM50237535 (6-Paradol | CHEBI:10137 | CHEMBL2071440) Show SMILES CCCCCCCC(=O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	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 human CYP2C19 using (S)-mephenytoin as substrate incubated for 5 mins followed by NADPH addition measured after 30 mins by LC-MS/MS ana...				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 MCE 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 2B6 (Homo sapiens (Human))	BDBM50237535 (6-Paradol | CHEBI:10137 | CHEMBL2071440) Show SMILES CCCCCCCC(=O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	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 2B6 (Homo sapiens (Human))	BDBM50237535 (6-Paradol | CHEBI:10137 | CHEMBL2071440) Show SMILES CCCCCCCC(=O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+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 20 mins followed by substrate addition measured after 30...				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))	BDBM50317425 (10-Gingerol | CHEMBL549472) Show SMILES CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin 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 2C9 (Homo sapiens (Human))	BDBM50317426 (8-Gingerol | CHEMBL1095671) Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2C9 expressed in baculosomes using Vivid OOMR 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 1A2 (Homo sapiens (Human))	BDBM50237535 (6-Paradol | CHEBI:10137 | CHEMBL2071440) Show SMILES CCCCCCCC(=O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+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 assessed as enzyme-mediated metabolite formation using phenacetin as substrate incubated for 5 mins fo...				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))	BDBM50317425 (10-Gingerol | CHEMBL549472) Show SMILES CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50317425 (10-Gingerol | CHEMBL549472) Show SMILES CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	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 diclofenac as substrate preincubated for 10 mins followed by NADPH addition measured after 7 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 2B6 (Homo sapiens (Human))	BDBM50317426 (8-Gingerol | CHEMBL1095671) Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+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 2C19 (Homo sapiens (Human))	BDBM50317426 (8-Gingerol | CHEMBL1095671) Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin 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))	BDBM50317426 (8-Gingerol | CHEMBL1095671) Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+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
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50237535 (6-Paradol | CHEBI:10137 | CHEMBL2071440) Show SMILES CCCCCCCC(=O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	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 CYP2C8 in human liver microsomes using paclitaxel as substrate preincubated for 20 mins followed by substrate addition measured after 3...				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 B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50317426 (8-Gingerol | CHEMBL1095671) Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70E+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 BOMCC substrate blue measured every 30 sec for 30 mins by fluorescence as...				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))	BDBM50317426 (8-Gingerol | CHEMBL1095671) Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70E+3	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 diclofenac as substrate preincubated for 10 mins followed by NADPH addition measured after 7 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 2C9 (Homo sapiens (Human))	BDBM50237535 (6-Paradol | CHEBI:10137 | CHEMBL2071440) Show SMILES CCCCCCCC(=O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90E+3	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 diclofenac as substrate preincubated for 20 mins followed by substrate addition measured after 3...				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))	BDBM50317426 (8-Gingerol | CHEMBL1095671) Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+4	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 2C9 (Homo sapiens (Human))	BDBM50237535 (6-Paradol | CHEBI:10137 | CHEMBL2071440) Show SMILES CCCCCCCC(=O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 using diclofenac as substrate incubated for 5 mins followed by NADPH addition measured after 30 mins by LC-MS/MS 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 2C19 (Homo sapiens (Human))	BDBM50275147 (6-Gingerol | BDBM50317427 | CHEMBL446043 | Gingero...) Show SMILES CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin 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))	BDBM50317426 (8-Gingerol | CHEMBL1095671) Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+4	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 DBOMF substrate green measured every 30 sec for 30 mins by fluorescence a...				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))	BDBM50275147 (6-Gingerol | BDBM50317427 | CHEMBL446043 | Gingero...) Show SMILES CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2C9 expressed in baculosomes using Vivid OOMR 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 2C19 (Homo sapiens (Human))	BDBM50317426 (8-Gingerol | CHEMBL1095671) Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+4	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 2C19 (Homo sapiens (Human))	BDBM50317425 (10-Gingerol | CHEMBL549472) Show SMILES CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2C19 expressed in baculosomes using Vivid EOMCC substrate blue measured every 30 sec for 30 mins by fluorescence a...				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))	BDBM50237535 (6-Paradol | CHEBI:10137 | CHEMBL2071440) Show SMILES CCCCCCCC(=O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+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 assessed as enzyme-mediated metabolite formation using diclofenac as substrate incubated for 5 mins fo...				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))	BDBM50237535 (6-Paradol | CHEBI:10137 | CHEMBL2071440) Show SMILES CCCCCCCC(=O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54E+4	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 assessed as enzyme-mediated metabolite formation using bupropion as substrate incubated for 5 mins fol...				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))	BDBM50317425 (10-Gingerol | CHEMBL549472) Show SMILES CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Binding affinity towards human melanocortin 4 receptor (hMC4R)				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))	BDBM50237535 (6-Paradol | CHEBI:10137 | CHEMBL2071440) Show SMILES CCCCCCCC(=O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.76E+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 (hMC4R)				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 MCE 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 1A2 (Homo sapiens (Human))	BDBM50275147 (6-Gingerol | BDBM50317427 | CHEMBL446043 | Gingero...) Show SMILES CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+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 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 1A2 (Homo sapiens (Human))	BDBM50237535 (6-Paradol | CHEBI:10137 | CHEMBL2071440) Show SMILES CCCCCCCC(=O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.96E+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 (hMC4R)				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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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 3A4 (Homo sapiens (Human))	BDBM50317425 (10-Gingerol | CHEMBL549472) Show SMILES CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.08E+4	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 BOMCC substrate blue measured every 30 sec for 30 mins by fluorescence as...				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))	BDBM50237535 (6-Paradol | CHEBI:10137 | CHEMBL2071440) Show SMILES CCCCCCCC(=O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 using phenacetin as substrate incubated for 5 mins followed by NADPH addition measured after 30 mins by LC-MS/MS 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 3A4 (Homo sapiens (Human))	BDBM50275147 (6-Gingerol | BDBM50317427 | CHEMBL446043 | Gingero...) Show SMILES CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.18E+4	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 BOMCC substrate blue measured every 30 sec for 30 mins by fluorescence as...				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))	BDBM50317425 (10-Gingerol | CHEMBL549472) Show SMILES CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.18E+4	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 DBOMF substrate green measured every 30 sec for 30 mins by fluorescence a...				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))	BDBM50275147 (6-Gingerol | BDBM50317427 | CHEMBL446043 | Gingero...) Show SMILES CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.21E+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 (hMC4R)				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))	BDBM50317425 (10-Gingerol | CHEMBL549472) Show SMILES CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.49E+4	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 1A2 (Homo sapiens (Human))	BDBM50317426 (8-Gingerol | CHEMBL1095671) Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.73E+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 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 2C9 (Homo sapiens (Human))	BDBM50275147 (6-Gingerol | BDBM50317427 | CHEMBL446043 | Gingero...) Show SMILES CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.79E+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 diclofenac as substrate preincubated for 10 mins followed by NADPH addition measured after 7 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

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