Found 5 hits of 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 |
|---|
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50277011
((2E,2'E)-(1,1'-(2,2-bis((4-(((E)-3-(3,4-dihydroxyp...)Show SMILES Oc1ccc(\C=C\C(=O)OCc2cn(CC(Cn3cc(COC(=O)\C=C\c4ccc(O)c(O)c4)nn3)(Cn3cc(COC(=O)\C=C\c4ccc(O)c(O)c4)nn3)Cn3cc(COC(=O)\C=C\c4ccc(O)c(O)c4)nn3)nn2)cc1O Show InChI InChI=1S/C53H48N12O16/c66-41-9-1-33(17-45(41)70)5-13-49(74)78-25-37-21-62(58-54-37)29-53(30-63-22-38(55-59-63)26-79-50(75)14-6-34-2-10-42(67)46(71)18-34,31-64-23-39(56-60-64)27-80-51(76)15-7-35-3-11-43(68)47(72)19-35)32-65-24-40(57-61-65)28-81-52(77)16-8-36-4-12-44(69)48(73)20-36/h1-24,66-73H,25-32H2/b13-5+,14-6+,15-7+,16-8+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Moncton
Curated by ChEMBL
| Assay Description
Inhibition of human 5LOX expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 1118-21 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.108
BindingDB Entry DOI: 10.7270/Q21R6QCD |
More data for this
Ligand-Target Pair | |
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50276981
((E)-2-(4-(cinnamoyloxymethyl)-1H-1,2,3-triazol-1-y...)Show SMILES Oc1ccc(\C=C\C(=O)OCCn2cc(COC(=O)\C=C\c3ccccc3)nn2)cc1O Show InChI InChI=1S/C23H21N3O6/c27-20-9-6-18(14-21(20)28)8-11-22(29)31-13-12-26-15-19(24-25-26)16-32-23(30)10-7-17-4-2-1-3-5-17/h1-11,14-15,27-28H,12-13,16H2/b10-7+,11-8+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Moncton
Curated by ChEMBL
| Assay Description
Inhibition of human 5LOX expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 1118-21 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.108
BindingDB Entry DOI: 10.7270/Q21R6QCD |
More data for this
Ligand-Target Pair | |
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50277009
((E)-(1-(2-((E)-3-(3,4-dihydroxyphenyl)acryloyloxy)...)Show SMILES Oc1ccc(\C=C\C(=O)OCCn2cc(COC(=O)\C=C\c3ccc(O)c(O)c3)nn2)cc1O Show InChI InChI=1S/C23H21N3O8/c27-18-5-1-15(11-20(18)29)3-7-22(31)33-10-9-26-13-17(24-25-26)14-34-23(32)8-4-16-2-6-19(28)21(30)12-16/h1-8,11-13,27-30H,9-10,14H2/b7-3+,8-4+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Moncton
Curated by ChEMBL
| Assay Description
Inhibition of human 5LOX expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 1118-21 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.108
BindingDB Entry DOI: 10.7270/Q21R6QCD |
More data for this
Ligand-Target Pair | |
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50277010
((2E,2'E)-(1,1'-(2-((4-(((E)-3-(3,4-dihydroxyphenyl...)Show SMILES OCC(Cn1cc(COC(=O)\C=C\c2ccc(O)c(O)c2)nn1)(Cn1cc(COC(=O)\C=C\c2ccc(O)c(O)c2)nn1)Cn1cc(COC(=O)\C=C\c2ccc(O)c(O)c2)nn1 Show InChI InChI=1S/C41H39N9O13/c51-25-41(22-48-16-29(42-45-48)19-61-38(58)10-4-26-1-7-32(52)35(55)13-26,23-49-17-30(43-46-49)20-62-39(59)11-5-27-2-8-33(53)36(56)14-27)24-50-18-31(44-47-50)21-63-40(60)12-6-28-3-9-34(54)37(57)15-28/h1-18,51-57H,19-25H2/b10-4+,11-5+,12-6+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Moncton
Curated by ChEMBL
| Assay Description
Inhibition of human 5LOX expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 1118-21 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.108
BindingDB Entry DOI: 10.7270/Q21R6QCD |
More data for this
Ligand-Target Pair | |
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM4375
((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Moncton
Curated by ChEMBL
| Assay Description
Inhibition of human 5LOX expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 1118-21 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.108
BindingDB Entry DOI: 10.7270/Q21R6QCD |
More data for this
Ligand-Target Pair | |
Search and Browse
