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PubMed code 1320692

Compile data set for download or QSAR
Found 19 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Leukotriene 2


(HUMAN)
BDBM50013889
PNG
((5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,...)
Show SMILES CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O
Show InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
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2n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM81522
PNG
(CGS 23130)
Show SMILES COc1ccc(\C=C\CCCCOc2ccc(Oc3cccc(c3)C(O)=O)cc2CCC(O)=O)cc1
Show InChI InChI=1S/C29H30O7/c1-34-24-13-10-21(11-14-24)7-4-2-3-5-18-35-27-16-15-26(19-22(27)12-17-28(30)31)36-25-9-6-8-23(20-25)29(32)33/h4,6-11,13-16,19-20H,2-3,5,12,17-18H2,1H3,(H,30,31)(H,32,33)/b7-4+
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8n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM81521
PNG
(20-OH-LTB4 | CAS_1589 | NSC_1589)
Show SMILES OCCCCCC=CCC(O)C=CC=CC=CC(O)CCCC(O)=O
Show InChI InChI=1S/C20H32O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,18-19,21-23H,1-2,6,10-12,15-17H2,(H,24,25)
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13n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

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Citation and Details
More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM50001611
PNG
((E)-3-{3-(2-Carboxy-ethyl)-4-[6-(4-methoxy-phenyl)...)
Show SMILES COc1ccc(\C=C\CCCCOc2ccc(cc2CCC(O)=O)C(=O)c2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C30H30O7/c1-36-26-14-10-21(11-15-26)7-4-2-3-5-18-37-27-16-12-24(19-22(27)13-17-28(31)32)29(33)23-8-6-9-25(20-23)30(34)35/h4,6-12,14-16,19-20H,2-3,5,13,17-18H2,1H3,(H,31,32)(H,34,35)/b7-4+
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15n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM81522
PNG
(CGS 23130)
Show SMILES COc1ccc(\C=C\CCCCOc2ccc(Oc3cccc(c3)C(O)=O)cc2CCC(O)=O)cc1
Show InChI InChI=1S/C29H30O7/c1-34-24-13-10-21(11-14-24)7-4-2-3-5-18-35-27-16-15-26(19-22(27)12-17-28(30)31)36-25-9-6-8-23(20-25)29(32)33/h4,6-11,13-16,19-20H,2-3,5,12,17-18H2,1H3,(H,30,31)(H,32,33)/b7-4+
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24n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM50001611
PNG
((E)-3-{3-(2-Carboxy-ethyl)-4-[6-(4-methoxy-phenyl)...)
Show SMILES COc1ccc(\C=C\CCCCOc2ccc(cc2CCC(O)=O)C(=O)c2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C30H30O7/c1-36-26-14-10-21(11-15-26)7-4-2-3-5-18-37-27-16-12-24(19-22(27)13-17-28(31)32)29(33)23-8-6-9-25(20-23)30(34)35/h4,6-12,14-16,19-20H,2-3,5,13,17-18H2,1H3,(H,31,32)(H,34,35)/b7-4+
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35n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM81519
PNG
(CAS_117690-79-6 | CGS 23356 | CHEMBL15766 | LY 255...)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1
Show InChI InChI=1S/C19H28N4O3/c1-5-14-11-15(13(2)24)16(25)12-17(14)26-10-8-6-7-9-19(3,4)18-20-22-23-21-18/h11-12,25H,5-10H2,1-4H3,(H,20,21,22,23)
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66n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM50013889
PNG
((5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,...)
Show SMILES CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O
Show InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
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93n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM81519
PNG
(CAS_117690-79-6 | CGS 23356 | CHEMBL15766 | LY 255...)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1
Show InChI InChI=1S/C19H28N4O3/c1-5-14-11-15(13(2)24)16(25)12-17(14)26-10-8-6-7-9-19(3,4)18-20-22-23-21-18/h11-12,25H,5-10H2,1-4H3,(H,20,21,22,23)
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116n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM81520
PNG
(CGS 23113)
Show SMILES CCCCCCCCC(O)\C=C\c1cccc(n1)C1OC1CCCCO
Show InChI InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-12-19(25)16-15-18-11-10-13-20(23-18)22-21(26-22)14-8-9-17-24/h10-11,13,15-16,19,21-22,24-25H,2-9,12,14,17H2,1H3/b16-15+
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124n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM50001610
PNG
(7-[3-(4-Acetyl-3-methoxy-2-propyl-phenoxy)-propoxy...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(C(C)=O)c1OC
Show InChI InChI=1S/C28H36O7/c1-5-8-21-23(13-10-19-11-14-25(28(30)31)35-26(19)21)33-16-7-17-34-24-15-12-20(18(3)29)27(32-4)22(24)9-6-2/h10,12-13,15,25H,5-9,11,14,16-17H2,1-4H3,(H,30,31)
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131n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM50001610
PNG
(7-[3-(4-Acetyl-3-methoxy-2-propyl-phenoxy)-propoxy...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(C(C)=O)c1OC
Show InChI InChI=1S/C28H36O7/c1-5-8-21-23(13-10-19-11-14-25(28(30)31)35-26(19)21)33-16-7-17-34-24-15-12-20(18(3)29)27(32-4)22(24)9-6-2/h10,12-13,15,25H,5-9,11,14,16-17H2,1-4H3,(H,30,31)
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137n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM81518
PNG
(CGS 23167)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCC(C)(C)c1nnn[nH]1
Show InChI InChI=1S/C18H26N4O3/c1-5-13-10-14(12(2)23)15(24)11-16(13)25-9-7-6-8-18(3,4)17-19-21-22-20-17/h10-11,24H,5-9H2,1-4H3,(H,19,20,21,22)
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293n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

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Citation and Details
More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM81518
PNG
(CGS 23167)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCC(C)(C)c1nnn[nH]1
Show InChI InChI=1S/C18H26N4O3/c1-5-13-10-14(12(2)23)15(24)11-16(13)25-9-7-6-8-18(3,4)17-19-21-22-20-17/h10-11,24H,5-9H2,1-4H3,(H,19,20,21,22)
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364n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

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Citation and Details
More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM81521
PNG
(20-OH-LTB4 | CAS_1589 | NSC_1589)
Show SMILES OCCCCCC=CCC(O)C=CC=CC=CC(O)CCCC(O)=O
Show InChI InChI=1S/C20H32O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,18-19,21-23H,1-2,6,10-12,15-17H2,(H,24,25)
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427n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

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Citation and Details
More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM50013889
PNG
((5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,...)
Show SMILES CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O
Show InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
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454n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM81523
PNG
(CGS 23114)
Show SMILES CCCCCCCCC(O)\C=C\c1cccc(C)n1
Show InChI InChI=1S/C17H27NO/c1-3-4-5-6-7-8-12-17(19)14-13-16-11-9-10-15(2)18-16/h9-11,13-14,17,19H,3-8,12H2,1-2H3/b14-13+
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885n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM81520
PNG
(CGS 23113)
Show SMILES CCCCCCCCC(O)\C=C\c1cccc(n1)C1OC1CCCCO
Show InChI InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-12-19(25)16-15-18-11-10-13-20(23-18)22-21(26-22)14-8-9-17-24/h10-11,13,15-16,19,21-22,24-25H,2-9,12,14,17H2,1H3/b16-15+
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1.84E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM50013889
PNG
((5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,...)
Show SMILES CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O
Show InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
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7.00E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%