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Compile Data Set for Download or QSAR

Found 71 hits Enz. Inhib. hit(s) with Target = 'Leukotriene 2' AND taxid = 9606   
Target
(Institution)
LigandTarget
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




J Pharmacol Exp Ther 262: 80-9 (1992)

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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2.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM81801
PNG
(CAS_5283121 | LTC4 | NSC_5283121)
Show SMILES CCCCCC=CCC=CC=CC=CC(SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(O)CCCC(O)=O
Show InChI InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)
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3.35n/an/an/an/an/an/an/an/a



University of Virginia

Curated by PDSP Ki Database




J Biol Chem 275: 30531-6 (2000)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM50292408
PNG
((R-(R*,S*-(E,E,Z,Z)))-N-(S-(1-(4-Carboxy-1-hydroxy...)
Show SMILES CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O
Show InChI InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1
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3.48n/an/an/an/an/an/an/an/a



University of Virginia

Curated by PDSP Ki Database




J Biol Chem 275: 30531-6 (2000)

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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7.60n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by PDSP Ki Database




Nature 387: 620-4 (1997)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM85081
PNG
(12-oxo-LTB4 | CAS_5280876 | NSC_5280876)
Show SMILES CCCCCCC=CC(=O)C=CC=CC=CC(O)CCCC(O)=O
Show InChI InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h7-11,13-15,19,22H,2-6,12,16-17H2,1H3,(H,23,24)
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7.60n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by PDSP Ki Database




Nature 387: 620-4 (1997)

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




J Pharmacol Exp Ther 262: 80-9 (1992)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM85702
PNG
(CAS_5283125 | LTB5 | NSC_5283125)
Show SMILES CCC=CCC=CCC(O)C=CC=CC=CC(O)CCCC(O)=O
Show InChI InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h3-4,6-11,14-15,18-19,21-22H,2,5,12-13,16-17H2,1H3,(H,23,24)
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9.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)

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

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 80-9 (1992)

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




J Pharmacol Exp Ther 262: 80-9 (1992)

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




J Pharmacol Exp Ther 262: 80-9 (1992)

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




J Pharmacol Exp Ther 262: 80-9 (1992)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM85696
PNG
(LTB4-20-hydroxy)
Show SMILES OCCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](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)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1
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41n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)

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




J Pharmacol Exp Ther 262: 80-9 (1992)

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




J Pharmacol Exp Ther 262: 80-9 (1992)

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




J Pharmacol Exp Ther 262: 80-9 (1992)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM79408
PNG
((5R)-6-[6-[(1E,3S,5Z)-3-hydroxyundeca-1,5-dienyl]-...)
Show SMILES CCCCC\C=C/C[C@H](O)\C=C\c1cccc(C[C@H](O)CCCCO)n1
Show InChI InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-13-21(25)16-15-19-11-10-12-20(23-19)18-22(26)14-8-9-17-24/h6-7,10-12,15-16,21-22,24-26H,2-5,8-9,13-14,17-18H2,1H3/b7-6-,16-15+/t21-,22+/m0/s1
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120n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by PDSP Ki Database




Nature 387: 620-4 (1997)

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




J Pharmacol Exp Ther 262: 80-9 (1992)

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




J Pharmacol Exp Ther 262: 80-9 (1992)

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




J Pharmacol Exp Ther 262: 80-9 (1992)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM85703
PNG
(CAS_5283162 | ETE-12-Oxo | NSC_5283162)
Show SMILES CCCCCCC=CC(=O)C=CC=CCC=CCCCC(O)=O
Show InChI InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-9,11,13-14,16-17H,2-6,10,12,15,18H2,1H3,(H,22,23)
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155n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM50025845
PNG
(115-hydroxy-(5Z,8Z,11Z,13E,15R)-5,8,11,13-icosatet...)
Show SMILES CCCCC[C@@H](O)\C=C\C=C/C\C=C/C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+/t19-/m1/s1
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173n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM85082
PNG
(20-COOH-LTB4 | CAS_128572 | NSC_128572)
Show SMILES OC(CCCC(O)=O)C=CC=CC=CC(O)CC=CCCCCCC(O)=O
Show InChI InChI=1S/C21H32O6/c22-18(12-7-3-1-2-4-10-16-20(24)25)13-8-5-6-9-14-19(23)15-11-17-21(26)27/h3,5-9,13-14,18-19,22-23H,1-2,4,10-12,15-17H2,(H,24,25)(H,26,27)
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190n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by PDSP Ki Database




Nature 387: 620-4 (1997)

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

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 80-9 (1992)

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

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 80-9 (1992)

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

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 80-9 (1992)

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




J Pharmacol Exp Ther 262: 80-9 (1992)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM85685
PNG
(LTB4-14,15-dehydro)
Show SMILES CCCCCC(O)C(=O)C[C@@H](O)C=CC=C\C=C/[C@@H](O)CCCC(O)=O
Show InChI InChI=1S/C20H32O6/c1-2-3-6-13-18(23)19(24)15-17(22)11-8-5-4-7-10-16(21)12-9-14-20(25)26/h4-5,7-8,10-11,16-18,21-23H,2-3,6,9,12-15H2,1H3,(H,25,26)/b5-4?,10-7-,11-8?/t16-,17+,18?/m1/s1
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473n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM50297387
PNG
((5S,6R,7E,9E,11Z,14Z)-6-(cystein-S-yl)-5-hydroxyic...)
Show SMILES CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(O)=O)[C@@H](O)CCCC(O)=O
Show InChI InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1
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693n/an/an/an/an/an/an/an/a



University of Virginia

Curated by PDSP Ki Database




J Biol Chem 275: 30531-6 (2000)

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




J Pharmacol Exp Ther 262: 80-9 (1992)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM85699
PNG
(5, 6-Dehydroarachidonic acid | CAS_1777 | NSC_1777)
Show SMILES CCCCCC=CCC=CCC=CCC#CCCCC(O)=O
Show InChI InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14,17-19H2,1H3,(H,21,22)
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1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM50171290
PNG
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl...)
Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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1.00E+3n/an/an/an/an/an/an/an/a



Sanofi-Synthelabo Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 905-14 (2004)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM85689
PNG
(LTB4-6-trans)
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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1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM85694
PNG
(LTD3)
Show SMILES CCCCCCCCC=CC=CC=CC(SCC(N)C(=O)NCC(O)=O)C(O)CCCC(O)=O
Show InChI InChI=1S/C25H42N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h9-13,16,20-22,28H,2-8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)
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1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM85697
PNG
(LTB4-20-carboxy)
Show SMILES O[C@@H](CCCC(O)=O)\C=C/C=C/C=C/[C@H](O)C\C=C/CCCCCC=O
Show InChI InChI=1S/C21H32O5/c22-18-11-7-3-1-2-4-8-13-19(23)14-9-5-6-10-15-20(24)16-12-17-21(25)26/h4-6,8-10,14-15,18-20,23-24H,1-3,7,11-13,16-17H2,(H,25,26)/b6-5+,8-4-,14-9+,15-10-/t19-,20-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM85684
PNG
(CAS_5283163 | HETE-8(R ) | NSC_5283163)
Show SMILES CCCCCC=CCC=CC=CC(O)CC=CCCCC(O)=O
Show InChI InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)
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1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM85695
PNG
(CAS_5283157 | HETE-20 | NSC_5283157)
Show SMILES OCCCCCC=CCC=CCC=CCC=CCCCC(O)=O
Show InChI InChI=1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12,21H,2,5,8,11,13-19H2,(H,22,23)
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1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM50024447
PNG
((6E,8Z,11Z,14Z)-5-Hydroxy-icosa-6,8,11,14-tetraeno...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C=C/C(O)CCCC(O)=O
Show InChI InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16,19,21H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+
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1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM50024458
PNG
(5-oxo-ETE | CHEMBL18028 | ETE-5-Oxo)
Show SMILES CCCCC\C=C/C\C=C/CC=CC=CC(=O)CCCC(O)=O
Show InChI InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12?,16-14?
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1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM50037382
PNG
(5-{2-(2-Carboxy-ethyl)-3-[(E)-6-(4-methoxy-phenyl)...)
Show SMILES COc1ccc(\C=C\CCCCOc2cccc(OCCCCC(O)=O)c2CCC(O)=O)cc1
Show InChI InChI=1S/C27H34O7/c1-32-22-15-13-21(14-16-22)9-4-2-3-6-19-33-24-10-8-11-25(23(24)17-18-27(30)31)34-20-7-5-12-26(28)29/h4,8-11,13-16H,2-3,5-7,12,17-20H2,1H3,(H,28,29)(H,30,31)/b9-4+
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1.20E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by PDSP Ki Database




Nature 387: 620-4 (1997)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM85692
PNG
(LTB4-3-aminopropylamide)
Show SMILES CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(=O)NCCCN
Show InChI InChI=1S/C23H40N2O3/c1-2-3-4-5-6-9-14-21(26)15-10-7-8-11-16-22(27)17-12-18-23(28)25-20-13-19-24/h6-11,15-16,21-22,26-27H,2-5,12-14,17-20,24H2,1H3,(H,25,28)/b8-7+,9-6-,15-10+,16-11-/t21-,22-/m1/s1
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1.23E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM85701
PNG
(CAS_89663-86-5 | NSC_5280914 | lipoxin-A4)
Show SMILES CCCCCC(O)C=CC=CC=CC=CC(O)C(O)CCCC(O)=O
Show InChI InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)
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1.40E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)

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




J Pharmacol Exp Ther 262: 80-9 (1992)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM85690
PNG
(LTC5)
Show SMILES CC\C=C\C=C\CCC=CC=CC=CC(SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(O)CCCC(O)=O
Show InChI InChI=1S/C30H45N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h3-6,9-13,16,22-25,34H,2,7-8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b4-3+,6-5+,10-9?,12-11?,16-13?
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3.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM50024447
PNG
((6E,8Z,11Z,14Z)-5-Hydroxy-icosa-6,8,11,14-tetraeno...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C=C/C(O)CCCC(O)=O
Show InChI InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16,19,21H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+
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3.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM85674
PNG
(CAS_103177-37-3 | NSC_115100 | Pranlukast)
Show SMILES O=C(Nc1ccc2c(c1)oc(cc2=O)-c1nnn[nH]1)c1ccc(OCCCCc2ccccc2)cc1
Show InChI InChI=1S/C27H23N5O4/c33-23-17-25(26-29-31-32-30-26)36-24-16-20(11-14-22(23)24)28-27(34)19-9-12-21(13-10-19)35-15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-14,16-17H,4-5,8,15H2,(H,28,34)(H,29,30,31,32)
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3.62E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by PDSP Ki Database




J Biol Chem 275: 30531-6 (2000)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM85686
PNG
(LTC3)
Show SMILES CCCCCCCCC=CC=CC=CC(SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(O)CCCC(O)=O
Show InChI InChI=1S/C30H49N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h9-13,16,22-25,34H,2-8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)
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PubMed
4.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM85687
PNG
(LTE3)
Show SMILES CCCCCCCCC=CC=CC=CC(SCC(N)C(O)=O)C(O)CCCC(O)=O
Show InChI InChI=1S/C23H39NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h9-13,16,19-21,25H,2-8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)
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PubMed
4.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM79408
PNG
((5R)-6-[6-[(1E,3S,5Z)-3-hydroxyundeca-1,5-dienyl]-...)
Show SMILES CCCCC\C=C/C[C@H](O)\C=C\c1cccc(C[C@H](O)CCCCO)n1
Show InChI InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-13-21(25)16-15-19-11-10-12-20(23-19)18-22(26)14-8-9-17-24/h6-7,10-12,15-16,21-22,24-26H,2-5,8-9,13-14,17-18H2,1H3/b7-6-,16-15+/t21-,22+/m0/s1
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PubMed
5.43E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)

More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM85700
PNG
(CAS_5283124 | LTF4 | NSC_5283124)
Show SMILES CCCCCC=CCC=CC=CC=CC(SCC(NC(=O)CCC(N)C(O)=O)C(O)=O)C(O)CCCC(O)=O
Show InChI InChI=1S/C28H44N2O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24(23(31)15-14-17-26(33)34)39-20-22(28(37)38)30-25(32)19-18-21(29)27(35)36/h6-7,9-13,16,21-24,31H,2-5,8,14-15,17-20,29H2,1H3,(H,30,32)(H,33,34)(H,35,36)(H,37,38)
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PubMed
6.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)

More data for this
Ligand-Target Pair
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