Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50037981 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 lipoxygenase ALOX15
(Homo sapiens (Human)) | BDBM50221405
(CHEMBL391079 | dysidenin)Show SMILES C[C@@H](C[C@H](N(C)C(=O)C[C@H](C)C(Cl)(Cl)Cl)C(=O)N[C@@H](C)c1nccs1)C(Cl)(Cl)Cl Show InChI InChI=1S/C17H23Cl6N3O2S/c1-9(16(18,19)20)7-12(14(28)25-11(3)15-24-5-6-29-15)26(4)13(27)8-10(2)17(21,22)23/h5-6,9-12H,7-8H2,1-4H3,(H,25,28)/t9-,10-,11-,12-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human 15-hLO1 |
Bioorg Med Chem 15: 6900-8 (2007)
Article DOI: 10.1016/j.bmc.2007.08.015 BindingDB Entry DOI: 10.7270/Q2Z89D81 |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX12
(Homo sapiens (Human)) | BDBM50221405
(CHEMBL391079 | dysidenin)Show SMILES C[C@@H](C[C@H](N(C)C(=O)C[C@H](C)C(Cl)(Cl)Cl)C(=O)N[C@@H](C)c1nccs1)C(Cl)(Cl)Cl Show InChI InChI=1S/C17H23Cl6N3O2S/c1-9(16(18,19)20)7-12(14(28)25-11(3)15-24-5-6-29-15)26(4)13(27)8-10(2)17(21,22)23/h5-6,9-12H,7-8H2,1-4H3,(H,25,28)/t9-,10-,11-,12-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human 12-hLO |
Bioorg Med Chem 15: 6900-8 (2007)
Article DOI: 10.1016/j.bmc.2007.08.015 BindingDB Entry DOI: 10.7270/Q2Z89D81 |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX12
(Homo sapiens (Human)) | BDBM50221404
(CHEMBL392270 | neodysidenin)Show SMILES C[C@@H](C[C@H](NC(=O)C[C@H](C)C(Cl)(Cl)Cl)C(=O)N(C)[C@H](C)c1nccs1)C(Cl)(Cl)Cl Show InChI InChI=1S/C17H23Cl6N3O2S/c1-9(16(18,19)20)7-12(25-13(27)8-10(2)17(21,22)23)15(28)26(4)11(3)14-24-5-6-29-14/h5-6,9-12H,7-8H2,1-4H3,(H,25,27)/t9-,10-,11+,12-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human 12-hLO |
Bioorg Med Chem 15: 6900-8 (2007)
Article DOI: 10.1016/j.bmc.2007.08.015 BindingDB Entry DOI: 10.7270/Q2Z89D81 |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX15
(Homo sapiens (Human)) | BDBM50221404
(CHEMBL392270 | neodysidenin)Show SMILES C[C@@H](C[C@H](NC(=O)C[C@H](C)C(Cl)(Cl)Cl)C(=O)N(C)[C@H](C)c1nccs1)C(Cl)(Cl)Cl Show InChI InChI=1S/C17H23Cl6N3O2S/c1-9(16(18,19)20)7-12(25-13(27)8-10(2)17(21,22)23)15(28)26(4)11(3)14-24-5-6-29-14/h5-6,9-12H,7-8H2,1-4H3,(H,25,27)/t9-,10-,11+,12-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human 15-hLO1 |
Bioorg Med Chem 15: 6900-8 (2007)
Article DOI: 10.1016/j.bmc.2007.08.015 BindingDB Entry DOI: 10.7270/Q2Z89D81 |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX12
(Homo sapiens (Human)) | BDBM50158387
(4-[(3-carboxy-4-hydroxy-1-naphthyl)(oxo)acetyl]-1-...)Show SMILES OC(=O)c1cc(C(=O)C(=O)c2cc(C(O)=O)c(O)c3ccccc23)c2ccccc2c1O Show InChI InChI=1S/C24H14O8/c25-19-13-7-3-1-5-11(13)15(9-17(19)23(29)30)21(27)22(28)16-10-18(24(31)32)20(26)14-8-4-2-6-12(14)16/h1-10,25-26H,(H,29,30)(H,31,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human 12-hLO |
Bioorg Med Chem 15: 6900-8 (2007)
Article DOI: 10.1016/j.bmc.2007.08.015 BindingDB Entry DOI: 10.7270/Q2Z89D81 |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX12
(Homo sapiens (Human)) | BDBM50221402
(CHEMBL238624 | NSC-172033)Show SMILES Oc1c(Cl)cc(cc1Cl)C(C(c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1 Show InChI InChI=1S/C26H14Cl8O4/c27-13-1-9(2-14(28)23(13)35)21(10-3-15(29)24(36)16(30)4-10)22(11-5-17(31)25(37)18(32)6-11)12-7-19(33)26(38)20(34)8-12/h1-8,21-22,35-38H | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human 12-hLO |
Bioorg Med Chem 15: 6900-8 (2007)
Article DOI: 10.1016/j.bmc.2007.08.015 BindingDB Entry DOI: 10.7270/Q2Z89D81 |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX12
(Homo sapiens (Human)) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human 12-hLO |
Bioorg Med Chem 15: 6900-8 (2007)
Article DOI: 10.1016/j.bmc.2007.08.015 BindingDB Entry DOI: 10.7270/Q2Z89D81 |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX15
(Homo sapiens (Human)) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human 15-hLO1 |
Bioorg Med Chem 15: 6900-8 (2007)
Article DOI: 10.1016/j.bmc.2007.08.015 BindingDB Entry DOI: 10.7270/Q2Z89D81 |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX12
(Homo sapiens (Human)) | BDBM50221403
(CHEMBL397803 | mischellamine B)Show SMILES COc1cc(C)cc2c(cc(c(O)c12)-c1ccc2c(c(C)cc(OC)c2c1O)-c1c(O)cc(O)c2[C@@H](C)N[C@H](C)Cc12)-c1c(O)cc(O)c2[C@@H](C)N[C@H](C)Cc12 |wU:38.42,52.58,wD:49.55,35.39,(-8.29,-38.12,;-6.96,-37.34,;-6.96,-35.81,;-8.29,-35.04,;-8.29,-33.49,;-9.62,-32.73,;-6.96,-32.73,;-5.63,-33.48,;-4.3,-32.71,;-2.97,-33.47,;-2.96,-35.02,;-4.3,-35.8,;-4.29,-37.34,;-5.63,-35.03,;-1.63,-35.78,;-1.62,-37.32,;-.29,-38.08,;1.03,-37.31,;2.38,-38.07,;3.71,-37.29,;5.05,-38.06,;3.7,-35.74,;2.36,-34.99,;2.34,-33.45,;3.67,-32.66,;1.03,-35.76,;-.31,-35,;-.32,-33.47,;2.38,-39.6,;1.05,-40.38,;-.28,-39.61,;1.06,-41.92,;2.39,-42.68,;2.41,-44.22,;3.73,-41.89,;5.04,-42.65,;5.05,-44.19,;6.36,-41.88,;6.36,-40.35,;7.45,-39.24,;5.03,-39.59,;3.72,-40.36,;-4.31,-31.19,;-2.98,-30.4,;-1.64,-31.17,;-2.99,-28.87,;-4.32,-28.11,;-4.33,-26.57,;-5.65,-28.88,;-7,-28.13,;-7,-26.59,;-8.33,-28.9,;-8.31,-30.45,;-9.64,-31.22,;-6.97,-31.22,;-5.65,-30.42,)| Show InChI InChI=1S/C46H48N2O8/c1-19-11-27-28(41-30-14-21(3)47-23(5)39(30)32(49)17-34(41)51)16-29(46(54)44(27)36(12-19)55-7)25-9-10-26-38(20(2)13-37(56-8)43(26)45(25)53)42-31-15-22(4)48-24(6)40(31)33(50)18-35(42)52/h9-13,16-18,21-24,47-54H,14-15H2,1-8H3/t21-,22-,23-,24-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human 12-hLO |
Bioorg Med Chem 15: 6900-8 (2007)
Article DOI: 10.1016/j.bmc.2007.08.015 BindingDB Entry DOI: 10.7270/Q2Z89D81 |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX15
(Homo sapiens (Human)) | BDBM50221403
(CHEMBL397803 | mischellamine B)Show SMILES COc1cc(C)cc2c(cc(c(O)c12)-c1ccc2c(c(C)cc(OC)c2c1O)-c1c(O)cc(O)c2[C@@H](C)N[C@H](C)Cc12)-c1c(O)cc(O)c2[C@@H](C)N[C@H](C)Cc12 |wU:38.42,52.58,wD:49.55,35.39,(-8.29,-38.12,;-6.96,-37.34,;-6.96,-35.81,;-8.29,-35.04,;-8.29,-33.49,;-9.62,-32.73,;-6.96,-32.73,;-5.63,-33.48,;-4.3,-32.71,;-2.97,-33.47,;-2.96,-35.02,;-4.3,-35.8,;-4.29,-37.34,;-5.63,-35.03,;-1.63,-35.78,;-1.62,-37.32,;-.29,-38.08,;1.03,-37.31,;2.38,-38.07,;3.71,-37.29,;5.05,-38.06,;3.7,-35.74,;2.36,-34.99,;2.34,-33.45,;3.67,-32.66,;1.03,-35.76,;-.31,-35,;-.32,-33.47,;2.38,-39.6,;1.05,-40.38,;-.28,-39.61,;1.06,-41.92,;2.39,-42.68,;2.41,-44.22,;3.73,-41.89,;5.04,-42.65,;5.05,-44.19,;6.36,-41.88,;6.36,-40.35,;7.45,-39.24,;5.03,-39.59,;3.72,-40.36,;-4.31,-31.19,;-2.98,-30.4,;-1.64,-31.17,;-2.99,-28.87,;-4.32,-28.11,;-4.33,-26.57,;-5.65,-28.88,;-7,-28.13,;-7,-26.59,;-8.33,-28.9,;-8.31,-30.45,;-9.64,-31.22,;-6.97,-31.22,;-5.65,-30.42,)| Show InChI InChI=1S/C46H48N2O8/c1-19-11-27-28(41-30-14-21(3)47-23(5)39(30)32(49)17-34(41)51)16-29(46(54)44(27)36(12-19)55-7)25-9-10-26-38(20(2)13-37(56-8)43(26)45(25)53)42-31-15-22(4)48-24(6)40(31)33(50)18-35(42)52/h9-13,16-18,21-24,47-54H,14-15H2,1-8H3/t21-,22-,23-,24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human 15-hLO1 |
Bioorg Med Chem 15: 6900-8 (2007)
Article DOI: 10.1016/j.bmc.2007.08.015 BindingDB Entry DOI: 10.7270/Q2Z89D81 |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX15
(Homo sapiens (Human)) | BDBM50221402
(CHEMBL238624 | NSC-172033)Show SMILES Oc1c(Cl)cc(cc1Cl)C(C(c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1 Show InChI InChI=1S/C26H14Cl8O4/c27-13-1-9(2-14(28)23(13)35)21(10-3-15(29)24(36)16(30)4-10)22(11-5-17(31)25(37)18(32)6-11)12-7-19(33)26(38)20(34)8-12/h1-8,21-22,35-38H | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human 15-hLO1 |
Bioorg Med Chem 15: 6900-8 (2007)
Article DOI: 10.1016/j.bmc.2007.08.015 BindingDB Entry DOI: 10.7270/Q2Z89D81 |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX15
(Homo sapiens (Human)) | BDBM50158387
(4-[(3-carboxy-4-hydroxy-1-naphthyl)(oxo)acetyl]-1-...)Show SMILES OC(=O)c1cc(C(=O)C(=O)c2cc(C(O)=O)c(O)c3ccccc23)c2ccccc2c1O Show InChI InChI=1S/C24H14O8/c25-19-13-7-3-1-5-11(13)15(9-17(19)23(29)30)21(27)22(28)16-10-18(24(31)32)20(26)14-8-4-2-6-12(14)16/h1-10,25-26H,(H,29,30)(H,31,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human 15-hLO1 |
Bioorg Med Chem 15: 6900-8 (2007)
Article DOI: 10.1016/j.bmc.2007.08.015 BindingDB Entry DOI: 10.7270/Q2Z89D81 |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX15
(Homo sapiens (Human)) | BDBM50158387
(4-[(3-carboxy-4-hydroxy-1-naphthyl)(oxo)acetyl]-1-...)Show SMILES OC(=O)c1cc(C(=O)C(=O)c2cc(C(O)=O)c(O)c3ccccc23)c2ccccc2c1O Show InChI InChI=1S/C24H14O8/c25-19-13-7-3-1-5-11(13)15(9-17(19)23(29)30)21(27)22(28)16-10-18(24(31)32)20(26)14-8-4-2-6-12(14)16/h1-10,25-26H,(H,29,30)(H,31,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human 15-hLO2 |
Bioorg Med Chem 15: 6900-8 (2007)
Article DOI: 10.1016/j.bmc.2007.08.015 BindingDB Entry DOI: 10.7270/Q2Z89D81 |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX15
(Homo sapiens (Human)) | BDBM50221402
(CHEMBL238624 | NSC-172033)Show SMILES Oc1c(Cl)cc(cc1Cl)C(C(c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1 Show InChI InChI=1S/C26H14Cl8O4/c27-13-1-9(2-14(28)23(13)35)21(10-3-15(29)24(36)16(30)4-10)22(11-5-17(31)25(37)18(32)6-11)12-7-19(33)26(38)20(34)8-12/h1-8,21-22,35-38H | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human 15-hLO2 |
Bioorg Med Chem 15: 6900-8 (2007)
Article DOI: 10.1016/j.bmc.2007.08.015 BindingDB Entry DOI: 10.7270/Q2Z89D81 |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX15
(Homo sapiens (Human)) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human 15-hLO2 |
Bioorg Med Chem 15: 6900-8 (2007)
Article DOI: 10.1016/j.bmc.2007.08.015 BindingDB Entry DOI: 10.7270/Q2Z89D81 |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX15
(Homo sapiens (Human)) | BDBM50221403
(CHEMBL397803 | mischellamine B)Show SMILES COc1cc(C)cc2c(cc(c(O)c12)-c1ccc2c(c(C)cc(OC)c2c1O)-c1c(O)cc(O)c2[C@@H](C)N[C@H](C)Cc12)-c1c(O)cc(O)c2[C@@H](C)N[C@H](C)Cc12 |wU:38.42,52.58,wD:49.55,35.39,(-8.29,-38.12,;-6.96,-37.34,;-6.96,-35.81,;-8.29,-35.04,;-8.29,-33.49,;-9.62,-32.73,;-6.96,-32.73,;-5.63,-33.48,;-4.3,-32.71,;-2.97,-33.47,;-2.96,-35.02,;-4.3,-35.8,;-4.29,-37.34,;-5.63,-35.03,;-1.63,-35.78,;-1.62,-37.32,;-.29,-38.08,;1.03,-37.31,;2.38,-38.07,;3.71,-37.29,;5.05,-38.06,;3.7,-35.74,;2.36,-34.99,;2.34,-33.45,;3.67,-32.66,;1.03,-35.76,;-.31,-35,;-.32,-33.47,;2.38,-39.6,;1.05,-40.38,;-.28,-39.61,;1.06,-41.92,;2.39,-42.68,;2.41,-44.22,;3.73,-41.89,;5.04,-42.65,;5.05,-44.19,;6.36,-41.88,;6.36,-40.35,;7.45,-39.24,;5.03,-39.59,;3.72,-40.36,;-4.31,-31.19,;-2.98,-30.4,;-1.64,-31.17,;-2.99,-28.87,;-4.32,-28.11,;-4.33,-26.57,;-5.65,-28.88,;-7,-28.13,;-7,-26.59,;-8.33,-28.9,;-8.31,-30.45,;-9.64,-31.22,;-6.97,-31.22,;-5.65,-30.42,)| Show InChI InChI=1S/C46H48N2O8/c1-19-11-27-28(41-30-14-21(3)47-23(5)39(30)32(49)17-34(41)51)16-29(46(54)44(27)36(12-19)55-7)25-9-10-26-38(20(2)13-37(56-8)43(26)45(25)53)42-31-15-22(4)48-24(6)40(31)33(50)18-35(42)52/h9-13,16-18,21-24,47-54H,14-15H2,1-8H3/t21-,22-,23-,24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human 15-hLO2 |
Bioorg Med Chem 15: 6900-8 (2007)
Article DOI: 10.1016/j.bmc.2007.08.015 BindingDB Entry DOI: 10.7270/Q2Z89D81 |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX12
(Homo sapiens (Human)) | BDBM50221404
(CHEMBL392270 | neodysidenin)Show SMILES C[C@@H](C[C@H](NC(=O)C[C@H](C)C(Cl)(Cl)Cl)C(=O)N(C)[C@H](C)c1nccs1)C(Cl)(Cl)Cl Show InChI InChI=1S/C17H23Cl6N3O2S/c1-9(16(18,19)20)7-12(25-13(27)8-10(2)17(21,22)23)15(28)26(4)11(3)14-24-5-6-29-14/h5-6,9-12H,7-8H2,1-4H3,(H,25,27)/t9-,10-,11+,12-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human 12-hLO |
Bioorg Med Chem 15: 6900-8 (2007)
Article DOI: 10.1016/j.bmc.2007.08.015 BindingDB Entry DOI: 10.7270/Q2Z89D81 |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX15
(Homo sapiens (Human)) | BDBM50221404
(CHEMBL392270 | neodysidenin)Show SMILES C[C@@H](C[C@H](NC(=O)C[C@H](C)C(Cl)(Cl)Cl)C(=O)N(C)[C@H](C)c1nccs1)C(Cl)(Cl)Cl Show InChI InChI=1S/C17H23Cl6N3O2S/c1-9(16(18,19)20)7-12(25-13(27)8-10(2)17(21,22)23)15(28)26(4)11(3)14-24-5-6-29-14/h5-6,9-12H,7-8H2,1-4H3,(H,25,27)/t9-,10-,11+,12-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human 15-hLO1 |
Bioorg Med Chem 15: 6900-8 (2007)
Article DOI: 10.1016/j.bmc.2007.08.015 BindingDB Entry DOI: 10.7270/Q2Z89D81 |
More data for this Ligand-Target Pair | |