Found 37 hits of ic50 data for complexid = 50000159 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/Polyunsaturated fatty acid 5-lipoxygenase
(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
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Article
| n/a | n/a | 30 | 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
(Homo sapiens (Human)) | BDBM50080258
(3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(thi...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3cscn3)cc12 Show InChI InChI=1S/C28H31ClN2O3S2/c1-27(2,3)36-25-22-12-21(34-15-20-16-35-17-30-20)10-11-23(22)31(14-18-6-8-19(29)9-7-18)24(25)13-28(4,5)26(32)33/h6-12,16-17H,13-15H2,1-5H3,(H,32,33) | PDB
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| n/a | n/a | 40 | 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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50080250
(3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(pyridi...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccccn3)cc12 Show InChI InChI=1S/C30H33ClN2O3S/c1-29(2,3)37-27-24-16-23(36-19-22-8-6-7-15-32-22)13-14-25(24)33(18-20-9-11-21(31)12-10-20)26(27)17-30(4,5)28(34)35/h6-16H,17-19H2,1-5H3,(H,34,35) | PDB
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| n/a | n/a | 50 | 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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50287317
(CHEMBL3349448 | CHEMBL37469 | [3-[3-tert-Butylsulf...)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)\C=N\OCC(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C29H37ClN2O3S/c1-19(2)21-10-13-24-23(14-21)27(36-28(3,4)5)25(15-29(6,7)18-31-35-17-26(33)34)32(24)16-20-8-11-22(30)12-9-20/h8-14,18-19H,15-17H2,1-7H3,(H,33,34) | PDB
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| n/a | n/a | 100 | 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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50080256
(3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(6-c...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3cccc(Cl)n3)cc12 Show InChI InChI=1S/C30H32Cl2N2O3S/c1-29(2,3)38-27-23-15-22(37-18-21-7-6-8-26(32)33-21)13-14-24(23)34(17-19-9-11-20(31)12-10-19)25(27)16-30(4,5)28(35)36/h6-15H,16-18H2,1-5H3,(H,35,36) | PDB
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| n/a | n/a | 110 | 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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50287323
(3-{2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-i...)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)NC(=O)N(C)O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C28H38ClN3O2S/c1-18(2)20-11-14-23-22(15-20)25(35-27(3,4)5)24(16-28(6,7)30-26(33)31(8)34)32(23)17-19-9-12-21(29)13-10-19/h9-15,18,34H,16-17H2,1-8H3,(H,30,33) | PDB
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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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50287322
(1-{3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-i...)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)CN(O)C(N)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C28H38ClN3O2S/c1-18(2)20-10-13-23-22(14-20)25(35-27(3,4)5)24(15-28(6,7)17-32(34)26(30)33)31(23)16-19-8-11-21(29)12-9-19/h8-14,18,34H,15-17H2,1-7H3,(H2,30,33) | PDB
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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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50287321
(CHEMBL434401 | {3-[3-tert-Butylsulfanyl-1-(4-chlor...)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)CNC(N)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C28H38ClN3OS/c1-18(2)20-10-13-23-22(14-20)25(34-27(3,4)5)24(15-28(6,7)17-31-26(30)33)32(23)16-19-8-11-21(29)12-9-19/h8-14,18H,15-17H2,1-7H3,(H3,30,31,33) | PDB
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| n/a | n/a | 180 | 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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50287327
(CHEMBL36331 | [3-[3-tert-Butylsulfanyl-1-(4-chloro...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)\C=N\OCC(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3cscn3)cc12 Show InChI InChI=1S/C30H34ClN3O4S2/c1-29(2,3)40-28-24-12-23(37-15-22-17-39-19-32-22)10-11-25(24)34(14-20-6-8-21(31)9-7-20)26(28)13-30(4,5)18-33-38-16-27(35)36/h6-12,17-19H,13-16H2,1-5H3,(H,35,36)/b33-18+ | PDB
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| n/a | n/a | 180 | 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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(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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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
(Homo sapiens (Human)) | BDBM50287319
(CHEMBL38949 | [3-[3-tert-Butylsulfanyl-1-(4-chloro...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)\C=N\OCC(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3cccc(Cl)n3)cc12 Show InChI InChI=1S/C32H35Cl2N3O4S/c1-31(2,3)42-30-25-15-24(40-18-23-7-6-8-28(34)36-23)13-14-26(25)37(17-21-9-11-22(33)12-10-21)27(30)16-32(4,5)20-35-41-19-29(38)39/h6-15,20H,16-19H2,1-5H3,(H,38,39)/b35-20+ | PDB
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| n/a | n/a | 230 | 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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50213868
(CHEMBL3349449)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)\C=N\O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H35ClN2OS/c1-18(2)20-10-13-23-22(14-20)25(32-26(3,4)5)24(15-27(6,7)17-29-31)30(23)16-19-8-11-21(28)12-9-19/h8-14,17-18,31H,15-16H2,1-7H3/b29-17+ | PDB
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| n/a | n/a | 270 | 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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50287324
(3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-isop...)Show SMILES CO\N=C\C(C)(C)Cc1c(SC(C)(C)C)c2cc(ccc2n1Cc1ccc(Cl)cc1)C(C)C Show InChI InChI=1S/C28H37ClN2OS/c1-19(2)21-11-14-24-23(15-21)26(33-27(3,4)5)25(16-28(6,7)18-30-32-8)31(24)17-20-9-12-22(29)13-10-20/h9-15,18-19H,16-17H2,1-8H3 | PDB
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| n/a | n/a | 340 | 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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(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
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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
(Homo sapiens (Human)) | BDBM50080255
(3-[5-(Benzothiazol-2-ylmethoxy)-3-tert-butylsulfan...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3nc4ccccc4s3)cc12 Show InChI InChI=1S/C32H33ClN2O3S2/c1-31(2,3)40-29-23-16-22(38-19-28-34-24-8-6-7-9-27(24)39-28)14-15-25(23)35(18-20-10-12-21(33)13-11-20)26(29)17-32(4,5)30(36)37/h6-16H,17-19H2,1-5H3,(H,36,37) | PDB
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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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50287325
(CHEMBL38884 | [3-[3-tert-Butylsulfanyl-1-(4-chloro...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)\C=N\OCC(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12 Show InChI InChI=1S/C36H38ClN3O4S/c1-35(2,3)45-34-29-18-28(43-21-27-15-12-25-8-6-7-9-30(25)39-27)16-17-31(29)40(20-24-10-13-26(37)14-11-24)32(34)19-36(4,5)23-38-44-22-33(41)42/h6-18,23H,19-22H2,1-5H3,(H,41,42)/b38-23+ | PDB
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| n/a | n/a | 600 | 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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50287328
(CHEMBL38513 | [3-[3-tert-Butylsulfanyl-1-(4-chloro...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)\C=N\OCC(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccccn3)cc12 Show InChI InChI=1S/C32H36ClN3O4S/c1-31(2,3)41-30-26-16-25(39-19-24-8-6-7-15-34-24)13-14-27(26)36(18-22-9-11-23(33)12-10-22)28(30)17-32(4,5)21-35-40-20-29(37)38/h6-16,21H,17-20H2,1-5H3,(H,37,38)/b35-21+ | PDB
Reactome pathway
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PC sid
UniChem
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| n/a | n/a | 600 | 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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50287317
(CHEMBL3349448 | CHEMBL37469 | [3-[3-tert-Butylsulf...)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)\C=N\OCC(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C29H37ClN2O3S/c1-19(2)21-10-13-24-23(14-21)27(36-28(3,4)5)25(15-29(6,7)18-31-35-17-26(33)34)32(24)16-20-8-11-22(30)12-9-20/h8-14,18-19H,15-17H2,1-7H3,(H,33,34) | PDB
Reactome pathway
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PC sid
UniChem
Similars
| Article
| n/a | n/a | 680 | 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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50080252
(3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(pyr...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccncc3)cc12 Show InChI InChI=1S/C30H33ClN2O3S/c1-29(2,3)37-27-24-16-23(36-19-21-12-14-32-15-13-21)10-11-25(24)33(18-20-6-8-22(31)9-7-20)26(27)17-30(4,5)28(34)35/h6-16H,17-19H2,1-5H3,(H,34,35) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
| n/a | n/a | 840 | 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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50287321
(CHEMBL434401 | {3-[3-tert-Butylsulfanyl-1-(4-chlor...)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)CNC(N)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C28H38ClN3OS/c1-18(2)20-10-13-23-22(14-20)25(34-27(3,4)5)24(15-28(6,7)17-31-26(30)33)32(23)16-19-8-11-21(29)12-9-19/h8-14,18H,15-17H2,1-7H3,(H3,30,31,33) | PDB
Reactome pathway
KEGG
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PC sid
UniChem
Patents
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| Article
| n/a | n/a | 970 | 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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50080234
(3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(pyr...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3cccnc3)cc12 Show InChI InChI=1S/C30H33ClN2O3S/c1-29(2,3)37-27-24-15-23(36-19-21-7-6-14-32-17-21)12-13-25(24)33(18-20-8-10-22(31)11-9-20)26(27)16-30(4,5)28(34)35/h6-15,17H,16,18-19H2,1-5H3,(H,34,35) | PDB
Reactome pathway
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PC sid
UniChem
Patents
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| Article
| n/a | n/a | 1.09E+3 | 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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50287323
(3-{2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-i...)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)NC(=O)N(C)O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C28H38ClN3O2S/c1-18(2)20-11-14-23-22(15-20)25(35-27(3,4)5)24(16-28(6,7)30-26(33)31(8)34)32(23)17-19-9-12-21(29)13-10-19/h9-15,18,34H,16-17H2,1-8H3,(H,30,33) | PDB
Reactome pathway
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UniChem
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| n/a | n/a | 1.30E+3 | 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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50287322
(1-{3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-i...)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)CN(O)C(N)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C28H38ClN3O2S/c1-18(2)20-10-13-23-22(14-20)25(35-27(3,4)5)24(15-28(6,7)17-32(34)26(30)33)31(23)16-19-8-11-21(29)12-9-19/h8-14,18,34H,15-17H2,1-7H3,(H2,30,33) | PDB
Reactome pathway
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UniChem
Similars
| Article
| n/a | n/a | 1.60E+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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50213868
(CHEMBL3349449)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)\C=N\O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H35ClN2OS/c1-18(2)20-10-13-23-22(14-20)25(32-26(3,4)5)24(15-27(6,7)17-29-31)30(23)16-19-8-11-21(28)12-9-19/h8-14,17-18,31H,15-16H2,1-7H3/b29-17+ | PDB
Reactome pathway
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PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.20E+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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50080258
(3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(thi...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3cscn3)cc12 Show InChI InChI=1S/C28H31ClN2O3S2/c1-27(2,3)36-25-22-12-21(34-15-20-16-35-17-30-20)10-11-23(22)31(14-18-6-8-19(29)9-7-18)24(25)13-28(4,5)26(32)33/h6-12,16-17H,13-15H2,1-5H3,(H,32,33) | PDB
Reactome pathway
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PC sid
UniChem
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| n/a | n/a | 4.00E+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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50287326
(3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(nap...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4c3)cc12 Show InChI InChI=1S/C35H36ClNO3S/c1-34(2,3)41-32-29-19-28(40-22-24-10-13-25-8-6-7-9-26(25)18-24)16-17-30(29)37(21-23-11-14-27(36)15-12-23)31(32)20-35(4,5)33(38)39/h6-19H,20-22H2,1-5H3,(H,38,39) | PDB
Reactome pathway
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PC sid
UniChem
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| n/a | n/a | 4.42E+3 | 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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50287318
(3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(thi...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3nccs3)cc12 Show InChI InChI=1S/C28H31ClN2O3S2/c1-27(2,3)36-25-21-14-20(34-17-24-30-12-13-35-24)10-11-22(21)31(16-18-6-8-19(29)9-7-18)23(25)15-28(4,5)26(32)33/h6-14H,15-17H2,1-5H3,(H,32,33) | PDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 7.00E+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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(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
Reactome pathway
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CHEMBL
MCE
MMDB
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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) |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50080255
(3-[5-(Benzothiazol-2-ylmethoxy)-3-tert-butylsulfan...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3nc4ccccc4s3)cc12 Show InChI InChI=1S/C32H33ClN2O3S2/c1-31(2,3)40-29-23-16-22(38-19-28-34-24-8-6-7-9-27(24)39-28)14-15-25(23)35(18-20-10-12-21(33)13-11-20)26(29)17-32(4,5)30(36)37/h6-16H,17-19H2,1-5H3,(H,36,37) | PDB
Reactome pathway
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Similars
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| n/a | n/a | 1.00E+4 | 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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50287319
(CHEMBL38949 | [3-[3-tert-Butylsulfanyl-1-(4-chloro...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)\C=N\OCC(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3cccc(Cl)n3)cc12 Show InChI InChI=1S/C32H35Cl2N3O4S/c1-31(2,3)42-30-25-15-24(40-18-23-7-6-8-28(34)36-23)13-14-26(25)37(17-21-9-11-22(33)12-10-21)27(30)16-32(4,5)20-35-41-19-29(38)39/h6-15,20H,16-19H2,1-5H3,(H,38,39)/b35-20+ | PDB
Reactome pathway
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PC cid
PC sid
UniChem
Similars
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| n/a | n/a | 1.00E+4 | 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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50287327
(CHEMBL36331 | [3-[3-tert-Butylsulfanyl-1-(4-chloro...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)\C=N\OCC(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3cscn3)cc12 Show InChI InChI=1S/C30H34ClN3O4S2/c1-29(2,3)40-28-24-12-23(37-15-22-17-39-19-32-22)10-11-25(24)34(14-20-6-8-21(31)9-7-20)26(28)13-30(4,5)18-33-38-16-27(35)36/h6-12,17-19H,13-16H2,1-5H3,(H,35,36)/b33-18+ | PDB
Reactome pathway
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PC sid
UniChem
Similars
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| n/a | n/a | 1.10E+4 | 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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50287324
(3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-isop...)Show SMILES CO\N=C\C(C)(C)Cc1c(SC(C)(C)C)c2cc(ccc2n1Cc1ccc(Cl)cc1)C(C)C Show InChI InChI=1S/C28H37ClN2OS/c1-19(2)21-11-14-24-23(15-21)26(33-27(3,4)5)25(16-28(6,7)18-30-32-8)31(24)17-20-9-12-22(29)13-10-20/h9-15,18-19H,16-17H2,1-8H3 | PDB
Reactome pathway
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PC sid
UniChem
Similars
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| n/a | n/a | 1.10E+4 | 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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50287325
(CHEMBL38884 | [3-[3-tert-Butylsulfanyl-1-(4-chloro...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)\C=N\OCC(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12 Show InChI InChI=1S/C36H38ClN3O4S/c1-35(2,3)45-34-29-18-28(43-21-27-15-12-25-8-6-7-9-30(25)39-27)16-17-31(29)40(20-24-10-13-26(37)14-11-24)32(34)19-36(4,5)23-38-44-22-33(41)42/h6-18,23H,19-22H2,1-5H3,(H,41,42)/b38-23+ | PDB
Reactome pathway
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 1.20E+4 | 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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50287326
(3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(nap...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4c3)cc12 Show InChI InChI=1S/C35H36ClNO3S/c1-34(2,3)41-32-29-19-28(40-22-24-10-13-25-8-6-7-9-26(25)18-24)16-17-30(29)37(21-23-11-14-27(36)15-12-23)31(32)20-35(4,5)33(38)39/h6-19H,20-22H2,1-5H3,(H,38,39) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 1.20E+4 | 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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50287328
(CHEMBL38513 | [3-[3-tert-Butylsulfanyl-1-(4-chloro...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)\C=N\OCC(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccccn3)cc12 Show InChI InChI=1S/C32H36ClN3O4S/c1-31(2,3)41-30-26-16-25(39-19-24-8-6-7-15-34-24)13-14-27(26)36(18-22-9-11-23(33)12-10-22)28(30)17-32(4,5)21-35-40-20-29(37)38/h6-16,21H,17-20H2,1-5H3,(H,37,38)/b35-21+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 1.30E+4 | 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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50080256
(3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(6-c...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3cccc(Cl)n3)cc12 Show InChI InChI=1S/C30H32Cl2N2O3S/c1-29(2,3)38-27-23-15-22(37-18-21-7-6-8-26(32)33-21)13-14-24(23)34(17-19-9-11-20(31)12-10-19)25(27)16-30(4,5)28(35)36/h6-15H,16-18H2,1-5H3,(H,35,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 1.70E+4 | 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 | |
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50080234
(3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(pyr...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3cccnc3)cc12 Show InChI InChI=1S/C30H33ClN2O3S/c1-29(2,3)37-27-24-15-23(36-19-21-7-6-14-32-17-21)12-13-25(24)33(18-20-8-10-22(31)11-9-20)26(27)16-30(4,5)28(34)35/h6-15,17H,16,18-19H2,1-5H3,(H,34,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 1.70E+4 | 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 | |
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