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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50048321   
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 B4 receptor


(Homo sapiens (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 |r|
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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CHEMBL
KEGG
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0.120n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q23N25HN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (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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15n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q23N25HN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50212629
PNG
(CHEMBL61542)
Show SMILES [Na+].CCCc1c(OCCCOc2cc(O)c(cc2CC)C(C)=O)cccc1Oc1ccccc1C([O-])=O
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39n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q23N25HN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50212625
PNG
(CHEMBL61919)
Show SMILES [Na+].CCCc1c(OCCCCOc2cc(O)c(cc2CC)C(C)=O)cccc1Oc1ccccc1C([O-])=O
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59n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q23N25HN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50212626
PNG
(LY-255283)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1
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77n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q23N25HN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50212632
PNG
(CHEMBL303109)
Show SMILES [Na+].CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc(Oc2ccc(cc2)C([O-])=O)cc1
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90n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q23N25HN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50212627
PNG
(CHEMBL61920)
Show SMILES [Na+].CCc1cc(C(C)=O)c(O)cc1OCCCOc1cccc(Oc2ccccc2C([O-])=O)c1
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130n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q23N25HN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50212628
PNG
(CHEMBL59656)
Show SMILES [Na+].CCc1cc(C(C)=O)c(O)cc1OCCCOc1cccc(Oc2cccc(c2)C([O-])=O)c1
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140n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q23N25HN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50212631
PNG
(CHEMBL61913)
Show SMILES [Na+].CCCc1c(OCCCOc2cc(O)c(cc2CC)C(C)=O)cccc1OCc1ccccc1C([O-])=O
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244n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q23N25HN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50212633
PNG
(CHEMBL61770)
Show SMILES [Na+].CCCc1cc(Oc2cccc(c2)C([O-])=O)ccc1OCCCOc1cc(O)c(cc1CC)C(C)=O
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256n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q23N25HN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50212630
PNG
(CHEMBL61063)
Show SMILES [Na+].CCCc1cc(Oc2ccc(cc2)C([O-])=O)ccc1OCCCOc1cc(O)c(cc1CC)C(C)=O
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1.20E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q23N25HN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (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 |r|
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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n/an/a 1.90n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q23N25HN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50212629
PNG
(CHEMBL61542)
Show SMILES [Na+].CCCc1c(OCCCOc2cc(O)c(cc2CC)C(C)=O)cccc1Oc1ccccc1C([O-])=O
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n/an/a 24n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q23N25HN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50212626
PNG
(LY-255283)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1
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n/an/a 85n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q23N25HN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50212625
PNG
(CHEMBL61919)
Show SMILES [Na+].CCCc1c(OCCCCOc2cc(O)c(cc2CC)C(C)=O)cccc1Oc1ccccc1C([O-])=O
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n/an/a 94n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q23N25HN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50212631
PNG
(CHEMBL61913)
Show SMILES [Na+].CCCc1c(OCCCOc2cc(O)c(cc2CC)C(C)=O)cccc1OCc1ccccc1C([O-])=O
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n/an/a 130n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q23N25HN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50212633
PNG
(CHEMBL61770)
Show SMILES [Na+].CCCc1cc(Oc2cccc(c2)C([O-])=O)ccc1OCCCOc1cc(O)c(cc1CC)C(C)=O
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n/an/a 160n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q23N25HN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50212632
PNG
(CHEMBL303109)
Show SMILES [Na+].CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc(Oc2ccc(cc2)C([O-])=O)cc1
UniProtKB/SwissProt

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n/an/a 190n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q23N25HN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (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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n/an/a 200n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q23N25HN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50212627
PNG
(CHEMBL61920)
Show SMILES [Na+].CCc1cc(C(C)=O)c(O)cc1OCCCOc1cccc(Oc2ccccc2C([O-])=O)c1
UniProtKB/SwissProt

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n/an/a 290n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q23N25HN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50212630
PNG
(CHEMBL61063)
Show SMILES [Na+].CCCc1cc(Oc2ccc(cc2)C([O-])=O)ccc1OCCCOc1cc(O)c(cc1CC)C(C)=O
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n/an/a 330n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q23N25HN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50212628
PNG
(CHEMBL59656)
Show SMILES [Na+].CCc1cc(C(C)=O)c(O)cc1OCCCOc1cccc(Oc2cccc(c2)C([O-])=O)c1
UniProtKB/SwissProt

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n/an/a 460n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q23N25HN
More data for this
Ligand-Target Pair