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Compile Data Set for Download or QSAR

Found 64 hits Enz. Inhib. hit(s) with Target = 'LTB4R' 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
LTB4R


(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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0.540n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(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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0.700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
LTB4R2


(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




Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(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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3.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

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Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(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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5.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

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Citation and Details
More data for this
Ligand-Target Pair
LTB4R2


(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



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More data for this
Ligand-Target Pair
LTB4R


(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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20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

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More data for this
Ligand-Target Pair
LTB4R


(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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25n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

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Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(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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27n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

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Citation and Details
More data for this
Ligand-Target Pair
LTB4R2


(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

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Citation and Details
More data for this
Ligand-Target Pair
LTB4R2


(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



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More data for this
Ligand-Target Pair
LTB4R2


(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

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Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(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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336n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
LTB4R2


(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

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Citation and Details
More data for this
Ligand-Target Pair
LTB4R2


(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

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Citation and Details
More data for this
Ligand-Target Pair
LTB4R2


(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

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Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(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

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Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(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

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More data for this
Ligand-Target Pair
LTB4R


(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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1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

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More data for this
Ligand-Target Pair
LTB4R2


(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

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More data for this
Ligand-Target Pair
LTB4R2


(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



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More data for this
Ligand-Target Pair
LTB4R2


(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

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Citation and Details
More data for this
Ligand-Target Pair
LTB4R2


(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

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Citation and Details
More data for this
Ligand-Target Pair
LTB4R2


(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

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More data for this
Ligand-Target Pair
LTB4R2


(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




Citation and Details
More data for this
Ligand-Target Pair
LTB4R2


(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

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Citation and Details
More data for this
Ligand-Target Pair
LTB4R2


(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




Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(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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1.44E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(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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1.90E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

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Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(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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2.37E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

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Citation and Details
More data for this
Ligand-Target Pair
LTB4R2


(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

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Citation and Details
More data for this
Ligand-Target Pair
LTB4R2


(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




Citation and Details
More data for this
Ligand-Target Pair
LTB4R2


(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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4.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(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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4.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
LTB4R2


(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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4.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

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Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM85698
PNG
(LTA3-ME)
Show SMILES CCCCCCCCC=CC=CC=CC1OC1CCCC(=O)OC
Show InChI InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-20(24-19)17-15-18-21(22)23-2/h10-14,16,19-20H,3-9,15,17-18H2,1-2H3
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5.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

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Citation and Details
More data for this
Ligand-Target Pair
LTB4R2


(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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5.43E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(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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5.70E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
LTB4R2


(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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6.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
LTB4R2


(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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6.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

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Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50009073
PNG
(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
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7.12E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
LTB4R2


(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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9.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(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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>1.00E+4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

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Citation and Details
More data for this
Ligand-Target Pair
LTB4R2


(HUMAN)
BDBM85698
PNG
(LTA3-ME)
Show SMILES CCCCCCCCC=CC=CC=CC1OC1CCCC(=O)OC
Show InChI InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-20(24-19)17-15-18-21(22)23-2/h10-14,16,19-20H,3-9,15,17-18H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

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Citation and Details
More data for this
Ligand-Target Pair
LTB4R2


(HUMAN)
BDBM85688
PNG
(CAS_126534 | LTA4-ME | NSC_126534)
Show SMILES CCCCCC=CCC=CC=CC=CC1OC1CCCC(=O)OC
Show InChI InChI=1S/C21H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-20(24-19)17-15-18-21(22)23-2/h7-8,10-14,16,19-20H,3-6,9,15,17-18H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(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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>1.00E+4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM85693
PNG
(LTA5-ME)
Show SMILES CC\C=C\CC=CCC=CC=CC=CC1OC1CCCC(=O)OC
Show InChI InChI=1S/C21H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-20(24-19)17-15-18-21(22)23-2/h4-5,7-8,10-14,16,19-20H,3,6,9,15,17-18H2,1-2H3/b5-4+,8-7?,11-10?,13-12?,16-14?
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>1.00E+4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




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Ligand-Target Pair
LTB4R


(HUMAN)
BDBM85688
PNG
(CAS_126534 | LTA4-ME | NSC_126534)
Show SMILES CCCCCC=CCC=CC=CC=CC1OC1CCCC(=O)OC
Show InChI InChI=1S/C21H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-20(24-19)17-15-18-21(22)23-2/h7-8,10-14,16,19-20H,3-6,9,15,17-18H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




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More data for this
Ligand-Target Pair
LTB4R


(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+4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(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+4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
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