Found 9 hits Enzyme Inhibition Constant Data 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
(160/161 > 99%)† (Homo sapiens (Human)) | BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12 Show InChI InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| MMDB PDB PubMed
| n/a | n/a | 1.60 | 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
(160/161 > 99%)† (Homo sapiens (Human)) | BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12 Show InChI InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39) | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Displacement of [125I]L-691831 from FLAP |
Bioorg Med Chem Lett 18: 2023-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.105 BindingDB Entry DOI: 10.7270/Q2CV4JKD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Arachidonate 5-lipoxygenase-activating protein
(160/161 > 99%)† (Homo sapiens (Human)) | BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12 Show InChI InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39) | PDB MMDB
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| MMDB PDB PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description Measuring the affinity of leukotriene synthesis inhibitor for 5-lipoxygenase activating protein by using [125I]-L-691,831 as radioligand. |
Bioorg Med Chem Lett 9: 2391-6 (1999)
BindingDB Entry DOI: 10.7270/Q26T0KTJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Arachidonate 5-lipoxygenase-activating protein
(160/161 > 99%)† (Homo sapiens (Human)) | BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12 Show InChI InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39) | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce... |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Arachidonate 5-lipoxygenase-activating protein
(160/161 > 99%)† (Homo sapiens (Human)) | BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12 Show InChI InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39) | PDB MMDB
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| n/a | n/a | 2 | 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 |
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
(160/161 > 99%)† (Homo sapiens (Human)) | BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12 Show InChI InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39) | PDB MMDB
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| MMDB PDB Article
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for its binding activity towards 5-lipoxygenase activating protein (FLAP) |
Bioorg Med Chem Lett 2: 1699-1702 (1992)
Article DOI: 10.1016/S0960-894X(00)80459-X BindingDB Entry DOI: 10.7270/Q29C6XB4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Arachidonate 5-lipoxygenase-activating protein
(160/161 > 99%)† (Homo sapiens (Human)) | BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12 Show InChI InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39) | PDB MMDB
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| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Binding affinity to FLAP (unknown origin) |
Bioorg Med Chem Lett 25: 2607-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.090 BindingDB Entry DOI: 10.7270/Q2183878 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(160/161 > 99%)† (Homo sapiens (Human)) | BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12 Show InChI InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39) | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Human whole blood was stimulated with calcium ionophore (A23187) and LTB 4 measured by enzyme immunoassay |
Bioorg Med Chem Lett 6: 1547-1552 (1996)
Article DOI: 10.1016/S0960-894X(96)00271-5 BindingDB Entry DOI: 10.7270/Q2DF6R6W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(160/161 > 99%)† (Homo sapiens (Human)) | BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12 Show InChI InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39) | PDB
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| PDB Article
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of calcium ionophore (A23187) stimulated LTB4 formation in human neutrophils |
Bioorg Med Chem Lett 6: 1547-1552 (1996)
Article DOI: 10.1016/S0960-894X(96)00271-5 BindingDB Entry DOI: 10.7270/Q2DF6R6W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |