Found 30 hits of ki data for polymerid = 8889,8891,50001840 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 |
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)) | 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)) | 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)) | BDBM50235670
(CHEMBL4079988)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 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 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)) | 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)) | BDBM50235664
(CHEMBL4083422)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)) | 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 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
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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 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 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
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CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 600 | -8.82 | 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
(Homo sapiens (Human)) | BDBM50343352
(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)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
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 1.80E+3 | -8.15 | 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 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
(Bos taurus) | BDBM50015554
(7a-Hydroxymethyl-1a-(3,7,11,15-tetramethyl-hexadec...)Show SMILES CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC12OC1(CO)C(=O)c1ccccc1C2=O Show InChI InChI=1S/C31H46O4/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)19-20-30-28(33)26-17-6-7-18-27(26)29(34)31(30,21-32)35-30/h6-7,17-19,22-24,32H,8-16,20-21H2,1-5H3/b25-19+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Apparent kinetic constant of the compound for Vitamin K epoxide reductase |
J Med Chem 33: 1790-7 (1990)
BindingDB Entry DOI: 10.7270/Q24F1PQD |
More data for this Ligand-Target Pair | |
Vitamin K epoxide reductase complex subunit 1
(Bos taurus) | BDBM50018515
(2-Fluoromethyl-2-hydroxy-3-methyl-3-(3,7,11,15-tet...)Show SMILES CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC1(C)C(=O)c2ccccc2C(=O)C1(O)CF Show InChI InChI=1S/C32H49FO3/c1-23(2)12-9-13-24(3)14-10-15-25(4)16-11-17-26(5)20-21-31(6)29(34)27-18-7-8-19-28(27)30(35)32(31,36)22-33/h7-8,18-20,23-25,36H,9-17,21-22H2,1-6H3/b26-20+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Binding affinity of the compound for vitamin K epoxide reductase |
J Med Chem 32: 2138-41 (1989)
BindingDB Entry DOI: 10.7270/Q2513X7Z |
More data for this Ligand-Target Pair | |
Vitamin K epoxide reductase complex subunit 1
(Bos taurus) | BDBM50015552
(7a-Fluoromethyl-1a-(3,7,11,15-tetramethyl-hexadec-...)Show SMILES CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC12OC1(CF)C(=O)c1ccccc1C2=O Show InChI InChI=1S/C31H45FO3/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)19-20-30-28(33)26-17-6-7-18-27(26)29(34)31(30,21-32)35-30/h6-7,17-19,22-24H,8-16,20-21H2,1-5H3/b25-19+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Apparent kinetic constant of the compound for Vitamin K epoxide reductase |
J Med Chem 33: 1790-7 (1990)
BindingDB Entry DOI: 10.7270/Q24F1PQD |
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
(Bos taurus) | BDBM50015556
(2,7-Dioxo-1a-(3,7,11,15-tetramethyl-hexadec-2-enyl...)Show SMILES CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC12OC1(C=O)C(=O)c1ccccc1C2=O Show InChI InChI=1S/C31H44O4/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)19-20-30-28(33)26-17-6-7-18-27(26)29(34)31(30,21-32)35-30/h6-7,17-19,21-24H,8-16,20H2,1-5H3/b25-19+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Apparent kinetic constant of the compound for Vitamin K epoxide reductase |
J Med Chem 33: 1790-7 (1990)
BindingDB Entry DOI: 10.7270/Q24F1PQD |
More data for this Ligand-Target Pair | |
Vitamin K epoxide reductase complex subunit 1
(Bos taurus) | BDBM50015559
(1a-(1-Hydroxy-3,7,11,15-tetramethyl-hexadec-2-enyl...)Show SMILES CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\C(O)C12OC1(C)C(=O)c1ccccc1C2=O Show InChI InChI=1S/C31H46O4/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-17-24(5)20-27(32)31-29(34)26-19-8-7-18-25(26)28(33)30(31,6)35-31/h7-8,18-23,27,32H,9-17H2,1-6H3/b24-20+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| 4.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Apparent kinetic constant of the compound for Vitamin K epoxide reductase |
J Med Chem 33: 1790-7 (1990)
BindingDB Entry DOI: 10.7270/Q24F1PQD |
More data for this Ligand-Target Pair | |
Vitamin K epoxide reductase complex subunit 1
(Homo sapiens (Human)) | BDBM50386849
(CHEMBL2048091)Show SMILES Oc1c(-c2csc(Nc3ccc(cc3)S(O)(=O)=O)n2)c(=O)oc2ccccc12 Show InChI InChI=1S/C18H12N2O6S2/c21-16-12-3-1-2-4-14(12)26-17(22)15(16)13-9-27-18(20-13)19-10-5-7-11(8-6-10)28(23,24)25/h1-9,21H,(H,19,20)(H,23,24,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kragujevac
Curated by ChEMBL
| Assay Description Inhibition of VKORC1 |
Eur J Med Chem 54: 144-58 (2012)
Article DOI: 10.1016/j.ejmech.2012.04.036 BindingDB Entry DOI: 10.7270/Q2K938K2 |
More data for this Ligand-Target Pair | |
Vitamin K epoxide reductase complex subunit 1
(Bos taurus) | BDBM50015557
(1a-(1-Hydroxy-3,7,11,15-tetramethyl-hexadecyl)-7a-...)Show SMILES CC(C)CCCC(C)CCCC(C)CCCC(C)CC(O)C12OC1(C)C(=O)c1ccccc1C2=O Show InChI InChI=1S/C31H48O4/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-17-24(5)20-27(32)31-29(34)26-19-8-7-18-25(26)28(33)30(31,6)35-31/h7-8,18-19,21-24,27,32H,9-17,20H2,1-6H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| PubMed
| 6.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Apparent kinetic constant of the compound for Vitamin K epoxide reductase |
J Med Chem 33: 1790-7 (1990)
BindingDB Entry DOI: 10.7270/Q24F1PQD |
More data for this Ligand-Target Pair | |
Vitamin K epoxide reductase complex subunit 1
(Bos taurus) | BDBM50015555
(7a-Difluoromethyl-1a-(3,7,11,15-tetramethyl-hexade...)Show SMILES CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC12OC1(C(F)F)C(=O)c1ccccc1C2=O Show InChI InChI=1S/C31H44F2O3/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-16-24(5)19-20-30-27(34)25-17-6-7-18-26(25)28(35)31(30,36-30)29(32)33/h6-7,17-19,21-23,29H,8-16,20H2,1-5H3/b24-19+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 6.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Apparent kinetic constant of the compound for Vitamin K epoxide reductase |
J Med Chem 33: 1790-7 (1990)
BindingDB Entry DOI: 10.7270/Q24F1PQD |
More data for this Ligand-Target Pair | |
Vitamin K epoxide reductase complex subunit 1
(Homo sapiens (Human)) | BDBM50386852
(CHEMBL2048084)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](\[#6](=O)-[#8]-[#6]-[#6])=[#6](\[#6])-c1c(-[#8])c2ccccc2oc1=O Show InChI InChI=1S/C18H18O7/c1-4-23-16(20)14(17(21)24-5-2)10(3)13-15(19)11-8-6-7-9-12(11)25-18(13)22/h6-9,19H,4-5H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 6.89E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kragujevac
Curated by ChEMBL
| Assay Description Inhibition of VKORC1 |
Eur J Med Chem 54: 144-58 (2012)
Article DOI: 10.1016/j.ejmech.2012.04.036 BindingDB Entry DOI: 10.7270/Q2K938K2 |
More data for this Ligand-Target Pair | |
Vitamin K epoxide reductase complex subunit 1
(Bos taurus) | BDBM50015553
(7a-Chloromethyl-1a-(3,7,11,15-tetramethyl-hexadec-...)Show SMILES CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC12OC1(CCl)C(=O)c1ccccc1C2=O Show InChI InChI=1S/C31H45ClO3/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)19-20-30-28(33)26-17-6-7-18-27(26)29(34)31(30,21-32)35-30/h6-7,17-19,22-24H,8-16,20-21H2,1-5H3/b25-19+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 7.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Apparent kinetic constant of the compound for Vitamin K epoxide reductase |
J Med Chem 33: 1790-7 (1990)
BindingDB Entry DOI: 10.7270/Q24F1PQD |
More data for this Ligand-Target Pair | |
Vitamin K epoxide reductase complex subunit 1
(Homo sapiens (Human)) | BDBM50386850
(CHEMBL2048092)Show InChI InChI=1S/C19H14N2O3S/c1-11-5-4-6-12(9-11)20-19-21-14(10-25-19)16-17(22)13-7-2-3-8-15(13)24-18(16)23/h2-10,22H,1H3,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kragujevac
Curated by ChEMBL
| Assay Description Inhibition of VKORC1 |
Eur J Med Chem 54: 144-58 (2012)
Article DOI: 10.1016/j.ejmech.2012.04.036 BindingDB Entry DOI: 10.7270/Q2K938K2 |
More data for this Ligand-Target Pair | |
Vitamin K epoxide reductase complex subunit 1
(Homo sapiens (Human)) | BDBM50386851
(CHEMBL2048096)Show SMILES Oc1c(-c2csc(Nc3cccc(c3)[N+]([O-])=O)n2)c(=O)oc2ccccc12 Show InChI InChI=1S/C18H11N3O5S/c22-16-12-6-1-2-7-14(12)26-17(23)15(16)13-9-27-18(20-13)19-10-4-3-5-11(8-10)21(24)25/h1-9,22H,(H,19,20) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.96E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kragujevac
Curated by ChEMBL
| Assay Description Inhibition of VKORC1 |
Eur J Med Chem 54: 144-58 (2012)
Article DOI: 10.1016/j.ejmech.2012.04.036 BindingDB Entry DOI: 10.7270/Q2K938K2 |
More data for this Ligand-Target Pair | |
Vitamin K epoxide reductase complex subunit 1
(Bos taurus) | BDBM50015558
(1a-(1-Fluoro-3,7,11,15-tetramethyl-hexadecyl)-7a-m...)Show SMILES CC(C)CCCC(C)CCCC(C)CCCC(C)CC(F)C12OC1(C)C(=O)c1ccccc1C2=O Show InChI InChI=1S/C31H47FO3/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-17-24(5)20-27(32)31-29(34)26-19-8-7-18-25(26)28(33)30(31,6)35-31/h7-8,18-19,21-24,27H,9-17,20H2,1-6H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| PubMed
| 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Apparent kinetic constant of the compound for Vitamin K epoxide reductase |
J Med Chem 33: 1790-7 (1990)
BindingDB Entry DOI: 10.7270/Q24F1PQD |
More data for this Ligand-Target Pair | |