Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with Target = 'Vitamin K epoxide reductase complex subunit 1' AND taxid = 10116   

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
Vitamin K epoxide reductase complex subunit 1 (Rattus norvegicus (Rat))	BDBM50235671 (CHEMBL4097212) Show SMILES CCCCCCCCCCCC(c1ccc(Cl)cc1)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C27H33ClO3/c1-2-3-4-5-6-7-8-9-10-13-22(20-16-18-21(28)19-17-20)25-26(29)23-14-11-12-15-24(23)31-27(25)30/h11-12,14-19,22,29H,2-10,13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Claude Bernard Lyon 1 Curated by ChEMBL					Assay Description Inhibition of endothelin-converting enzyme in human umbilical vein endothelial cells				Bioorg Med Chem Lett 27: 1598-1601 (2017) Article DOI: 10.1016/j.bmcl.2017.02.017 BindingDB Entry DOI: 10.7270/Q2XP7764
					More data for this Ligand-Target Pair
Vitamin K epoxide reductase complex subunit 1 (Rattus norvegicus (Rat))	BDBM50235661 (CHEMBL4088796) Show SMILES CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\Cc1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C29H44O3/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-16-24(5)19-20-26-28(30)25-17-6-7-18-27(25)32-29(26)31/h6-7,17-19,21-23,30H,8-16,20H2,1-5H3/b24-19+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Claude Bernard Lyon 1 Curated by ChEMBL					Assay Description In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 27: 1598-1601 (2017) Article DOI: 10.1016/j.bmcl.2017.02.017 BindingDB Entry DOI: 10.7270/Q2XP7764
					More data for this Ligand-Target Pair
Vitamin K epoxide reductase complex subunit 1 (Rattus norvegicus (Rat))	BDBM50235667 (CHEMBL4080688) Show SMILES CCCCCCCCCCCC(c1ccc(F)cc1)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C27H33FO3/c1-2-3-4-5-6-7-8-9-10-13-22(20-16-18-21(28)19-17-20)25-26(29)23-14-11-12-15-24(23)31-27(25)30/h11-12,14-19,22,29H,2-10,13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Claude Bernard Lyon 1 Curated by ChEMBL					Assay Description Inhibition of endothelin-converting enzyme in human umbilical vein endothelial cells				Bioorg Med Chem Lett 27: 1598-1601 (2017) Article DOI: 10.1016/j.bmcl.2017.02.017 BindingDB Entry DOI: 10.7270/Q2XP7764
					More data for this Ligand-Target Pair
Vitamin K epoxide reductase complex subunit 1 (Rattus norvegicus (Rat))	BDBM50235670 (CHEMBL4079988) Show SMILES CCCCCCCCCCCC(c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C27H34O3/c1-2-3-4-5-6-7-8-9-13-18-22(21-16-11-10-12-17-21)25-26(28)23-19-14-15-20-24(23)30-27(25)29/h10-12,14-17,19-20,22,28H,2-9,13,18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Claude Bernard Lyon 1 Curated by ChEMBL					Assay Description Inhibition of VKORC1 in rat liver microsomes in presence of 0.003 to 0.2 mM vitamin K				Bioorg Med Chem Lett 27: 1598-1601 (2017) Article DOI: 10.1016/j.bmcl.2017.02.017 BindingDB Entry DOI: 10.7270/Q2XP7764
					More data for this Ligand-Target Pair
Vitamin K epoxide reductase complex subunit 1 (Rattus norvegicus (Rat))	BDBM50235673 (CHEMBL4060572) Show SMILES CCCCCCCCCCCCc1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C21H30O3/c1-2-3-4-5-6-7-8-9-10-11-15-18-20(22)17-14-12-13-16-19(17)24-21(18)23/h12-14,16,22H,2-11,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Claude Bernard Lyon 1 Curated by ChEMBL					Assay Description Inhibition of VKORC1 in rat liver microsomes in presence of 0.003 to 0.2 mM vitamin K				Bioorg Med Chem Lett 27: 1598-1601 (2017) Article DOI: 10.1016/j.bmcl.2017.02.017 BindingDB Entry DOI: 10.7270/Q2XP7764
					More data for this Ligand-Target Pair
Vitamin K epoxide reductase complex subunit 1 (Rattus norvegicus (Rat))	BDBM50235668 (CHEMBL4098946) Show SMILES CC(C)CCCC(C)CCCC(C)CCCC(C)CCc1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C29H46O3/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-16-24(5)19-20-26-28(30)25-17-6-7-18-27(25)32-29(26)31/h6-7,17-18,21-24,30H,8-16,19-20H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Claude Bernard Lyon 1 Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase in human umbilical vein endothelial cells				Bioorg Med Chem Lett 27: 1598-1601 (2017) Article DOI: 10.1016/j.bmcl.2017.02.017 BindingDB Entry DOI: 10.7270/Q2XP7764
					More data for this Ligand-Target Pair
Vitamin K epoxide reductase complex subunit 1 (Rattus norvegicus (Rat))	BDBM50235672 (CHEMBL4061606) Show SMILES CCCCCCCCCCCc1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C20H28O3/c1-2-3-4-5-6-7-8-9-10-14-17-19(21)16-13-11-12-15-18(16)23-20(17)22/h11-13,15,21H,2-10,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Claude Bernard Lyon 1 Curated by ChEMBL					Assay Description Inhibition of VKORC1 in rat liver microsomes in presence of 0.003 to 0.2 mM vitamin K				Bioorg Med Chem Lett 27: 1598-1601 (2017) Article DOI: 10.1016/j.bmcl.2017.02.017 BindingDB Entry DOI: 10.7270/Q2XP7764
					More data for this Ligand-Target Pair
Vitamin K epoxide reductase complex subunit 1 (Rattus norvegicus (Rat))	BDBM50235664 (CHEMBL4083422) Show SMILES CCCCCCCCCCc1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C19H26O3/c1-2-3-4-5-6-7-8-9-13-16-18(20)15-12-10-11-14-17(15)22-19(16)21/h10-12,14,20H,2-9,13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Claude Bernard Lyon 1 Curated by ChEMBL					Assay Description Inhibition of VKORC1 in rat liver microsomes in presence of 0.003 to 0.2 mM vitamin K				Bioorg Med Chem Lett 27: 1598-1601 (2017) Article DOI: 10.1016/j.bmcl.2017.02.017 BindingDB Entry DOI: 10.7270/Q2XP7764
					More data for this Ligand-Target Pair
Vitamin K epoxide reductase complex subunit 1 (Rattus norvegicus (Rat))	BDBM50235674 (CHEMBL4070018) Show SMILES CCCCCCCCCCCC(c1ccc(Cl)cc1Cl)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C27H32Cl2O3/c1-2-3-4-5-6-7-8-9-10-13-21(20-17-16-19(28)18-23(20)29)25-26(30)22-14-11-12-15-24(22)32-27(25)31/h11-12,14-18,21,30H,2-10,13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Claude Bernard Lyon 1 Curated by ChEMBL					Assay Description Inhibition of VKORC1 in rat liver microsomes in presence of 0.003 to 0.2 mM vitamin K				Bioorg Med Chem Lett 27: 1598-1601 (2017) Article DOI: 10.1016/j.bmcl.2017.02.017 BindingDB Entry DOI: 10.7270/Q2XP7764
					More data for this Ligand-Target Pair
Vitamin K epoxide reductase complex subunit 1 (Rattus norvegicus (Rat))	BDBM50235665 (CHEMBL4104227) Show SMILES CCCCCCCCCCCC(c1ccc(OC)cc1)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C28H36O4/c1-3-4-5-6-7-8-9-10-11-14-23(21-17-19-22(31-2)20-18-21)26-27(29)24-15-12-13-16-25(24)32-28(26)30/h12-13,15-20,23,29H,3-11,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Claude Bernard Lyon 1 Curated by ChEMBL					Assay Description Inhibition of Endothelin-converting enzyme of guinea pig lung membrane				Bioorg Med Chem Lett 27: 1598-1601 (2017) Article DOI: 10.1016/j.bmcl.2017.02.017 BindingDB Entry DOI: 10.7270/Q2XP7764
					More data for this Ligand-Target Pair
Vitamin K epoxide reductase complex subunit 1 (Rattus norvegicus (Rat))	BDBM768 (4-hydroxy-3-(1-phenylpropyl)-2H-chromen-2-one | CH...) Show SMILES CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Claude Bernard Lyon 1 Curated by ChEMBL					Assay Description In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 27: 1598-1601 (2017) Article DOI: 10.1016/j.bmcl.2017.02.017 BindingDB Entry DOI: 10.7270/Q2XP7764
					More data for this Ligand-Target Pair
Vitamin K epoxide reductase complex subunit 1 (Rattus norvegicus (Rat))	BDBM50235669 (CHEMBL4080910) Show SMILES CC(C)CCCC(C)CCCC(C)CCCC(C)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C35H50O3/c1-25(2)14-11-15-26(3)16-12-17-27(4)18-13-19-28(5)24-31(29-20-7-6-8-21-29)33-34(36)30-22-9-10-23-32(30)38-35(33)37/h6-10,20-23,25-28,31,36H,11-19,24H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Claude Bernard Lyon 1 Curated by ChEMBL					Assay Description Inhibition of VKORC1 in rat liver microsomes in presence of 0.003 to 0.2 mM vitamin K				Bioorg Med Chem Lett 27: 1598-1601 (2017) Article DOI: 10.1016/j.bmcl.2017.02.017 BindingDB Entry DOI: 10.7270/Q2XP7764
					More data for this Ligand-Target Pair
Vitamin K epoxide reductase complex subunit 1 (Rattus norvegicus (Rat))	BDBM50235663 (CHEMBL4070271) Show SMILES CCCCCCCCc1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C17H22O3/c1-2-3-4-5-6-7-11-14-16(18)13-10-8-9-12-15(13)20-17(14)19/h8-10,12,18H,2-7,11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Claude Bernard Lyon 1 Curated by ChEMBL					Assay Description In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 27: 1598-1601 (2017) Article DOI: 10.1016/j.bmcl.2017.02.017 BindingDB Entry DOI: 10.7270/Q2XP7764
					More data for this Ligand-Target Pair
Vitamin K epoxide reductase complex subunit 1 (Rattus norvegicus (Rat))	BDBM50343352 (2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...) Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	600	-36.9	n/a	n/a	n/a	n/a	n/a	7.4	37
Institut National de Recherche Agronomique (INRA)-Vetagro Sup, Veterinary School of Lyon					Assay Description Briefly, standard reactions were performed in 200 mM Hepes buffer, pH 7.4, containing 150 mM KCl, 1 mM dithiothreitol, 0.25 to 2 g liter-1...				J Biol Chem 288: 28733-42 (2013) Article DOI: 10.1074/jbc.M113.457119 BindingDB Entry DOI: 10.7270/Q27943HC
					More data for this Ligand-Target Pair
Vitamin K epoxide reductase complex subunit 1 (Rattus norvegicus (Rat))	BDBM50235662 (CHEMBL4091210) Show SMILES CCCCCCc1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C15H18O3/c1-2-3-4-5-9-12-14(16)11-8-6-7-10-13(11)18-15(12)17/h6-8,10,16H,2-5,9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Claude Bernard Lyon 1 Curated by ChEMBL					Assay Description In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 27: 1598-1601 (2017) Article DOI: 10.1016/j.bmcl.2017.02.017 BindingDB Entry DOI: 10.7270/Q2XP7764
					More data for this Ligand-Target Pair
Vitamin K epoxide reductase complex subunit 1 (Rattus norvegicus (Rat))	BDBM50235666 (CHEMBL4104918) Show SMILES CCCCCCCCCCCC(c1ccc(cc1)C(C)(C)C)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C31H42O3/c1-5-6-7-8-9-10-11-12-13-16-25(23-19-21-24(22-20-23)31(2,3)4)28-29(32)26-17-14-15-18-27(26)34-30(28)33/h14-15,17-22,25,32H,5-13,16H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Claude Bernard Lyon 1 Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase in human umbilical vein endothelial cells				Bioorg Med Chem Lett 27: 1598-1601 (2017) Article DOI: 10.1016/j.bmcl.2017.02.017 BindingDB Entry DOI: 10.7270/Q2XP7764
					More data for this Ligand-Target Pair
Vitamin K epoxide reductase complex subunit 1-like protein 1 (Rattus norvegicus (Rat))	BDBM50343352 (2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...) Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	3.26E+4	-26.6	n/a	n/a	n/a	n/a	n/a	7.4	37
Institut National de Recherche Agronomique (INRA)-Vetagro Sup, Veterinary School of Lyon					Assay Description Briefly, standard reactions were performed in 200 mM Hepes buffer, pH 7.4, containing 150 mM KCl, 1 mM dithiothreitol, 0.25 to 2 g liter-1...				J Biol Chem 288: 28733-42 (2013) Article DOI: 10.1074/jbc.M113.457119 BindingDB Entry DOI: 10.7270/Q27943HC
					More data for this Ligand-Target Pair