Found 18 hits Enz. Inhib. hit(s) with Target = 'Arachidonate 5-lipoxygenase-activating protein' and Ligand = 'BDBM50006805' 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 |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50006805
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31) | PDB MMDB
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| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 5 mins by ELISA in... |
J Med Chem 54: 8013-29 (2011)
Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50006805
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31) | PDB MMDB
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| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Jena
Curated by ChEMBL
| Assay Description Antagonist activity at FLAP in human PMNC assessed as inhibition of A23187-induced LTB4 biosynthesis pre-incubated for 2 mins followed by addition of... |
J Med Chem 59: 5970-86 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01750 BindingDB Entry DOI: 10.7270/Q2902793 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50006805
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31) | PDB MMDB
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| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Jena
Curated by ChEMBL
| Assay Description Antagonist activity at FLAP in human PMNC assessed as inhibition of A23187-induced LTB4 biosynthesis pre-incubated for 2 mins followed by addition of... |
J Med Chem 59: 5970-86 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01750 BindingDB Entry DOI: 10.7270/Q2902793 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50006805
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31) | PDB MMDB
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| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 1 hr by ELISA in a... |
J Med Chem 54: 8013-29 (2011)
Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50006805
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31) | PDB MMDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Gazi University
Curated by ChEMBL
| Assay Description Inhibition of FLAP in A23187-stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 10 mins |
Bioorg Med Chem 20: 3728-41 (2012)
Article DOI: 10.1016/j.bmc.2012.04.048 BindingDB Entry DOI: 10.7270/Q26H4JFM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50006805
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31) | PDB MMDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA i... |
J Med Chem 54: 8013-29 (2011)
Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50006805
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31) | PDB MMDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibition of 5-lipoxygenase activating protein using human leukocyte membrane preparations |
J Med Chem 38: 4538-47 (1995)
BindingDB Entry DOI: 10.7270/Q2C53JW5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50006805
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31) | PDB MMDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description The compound was tested for the inhibition of binding of [125I]- L- 691,831 binding to 5-lipoxygenase activating protein (FLAP) |
Bioorg Med Chem Lett 2: 1395-1398 (1992)
Article DOI: 10.1016/S0960-894X(00)80520-X BindingDB Entry DOI: 10.7270/Q2028RGQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50006805
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31) | PDB MMDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Binding affinity of compound for 5-lipoxygenase activating protein protein by FLAP binding assay |
J Med Chem 39: 2629-54 (1996)
Article DOI: 10.1021/jm960088k BindingDB Entry DOI: 10.7270/Q21J9BFT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50006805
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31) | PDB MMDB
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TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50006805
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31) | PDB MMDB
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. St. Louis Laboratory
Curated by ChEMBL
| Assay Description Inhibition of FLAP |
Bioorg Med Chem Lett 20: 1604-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.060 BindingDB Entry DOI: 10.7270/Q25X292V |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50006805
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31) | PDB MMDB
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of FLAP (unknown origin) |
Bioorg Med Chem Lett 23: 907-11 (2013)
Article DOI: 10.1016/j.bmcl.2012.10.040 BindingDB Entry DOI: 10.7270/Q2Z3210H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50006805
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31) | PDB MMDB
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard Karls University Tuebingen
Curated by ChEMBL
| Assay Description Binding affinity to FLAP |
J Med Chem 52: 4968-72 (2009)
Article DOI: 10.1021/jm900481c BindingDB Entry DOI: 10.7270/Q29C6XGX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50006805
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31) | PDB MMDB
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibition of FLAP |
J Med Chem 51: 4059-67 (2008)
Article DOI: 10.1021/jm800197b BindingDB Entry DOI: 10.7270/Q27W6C0K |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50006805
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31) | PDB MMDB
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| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 3 hr by ELISA in p... |
J Med Chem 54: 8013-29 (2011)
Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50006805
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31) | PDB MMDB
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| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of FLAP in human whole blood assessed as inhibition of calcium ionophore A23187-induced LTB4 production preincubated for 11 hrs by ELISA |
J Med Chem 54: 8013-29 (2011)
Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50006805
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31) | PDB MMDB
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| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of FLAP in human whole blood assessed as inhibition of calcium ionophore A23187-induced LTB4 production preincubated for 5 hrs by ELISA |
J Med Chem 54: 8013-29 (2011)
Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50006805
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31) | PDB MMDB
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| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of FLAP in human whole blood assessed as inhibition of calcium ionophore A23187-induced LTB4 production preincubated for 15 mins by ELISA |
J Med Chem 54: 8013-29 (2011)
Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |