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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'LTB4R' and Ligand = 'BDBM50001610'   
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
LTB4R


(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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220n/an/an/an/an/an/an/an/a



Smithkline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against Leukotriene B4 receptor on intact differentiated U-937 cells in competitive binding assay with [3H]-LTB4


J Med Chem 36: 3333-40 (1993)


Article DOI: 10.1021/jm00074a014
BindingDB Entry DOI: 10.7270/Q2BG2N1M
More data for this
Ligand-Target Pair
LTB4R


(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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280n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro antagonist activity against leukotriene B4 (LTB4) receptor in [3H]-LTB4 human neutrophil receptor binding assay


Bioorg Med Chem Lett 5: 887-892 (1995)


Article DOI: 10.1016/0960-894X(95)00135-G
BindingDB Entry DOI: 10.7270/Q2J966BX
More data for this
Ligand-Target Pair
LTB4R


(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 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against leukotriene B4 receptor


Bioorg Med Chem Lett 4: 811-816 (1994)


Article DOI: 10.1016/S0960-894X(01)80853-2
BindingDB Entry DOI: 10.7270/Q2DN451X
More data for this
Ligand-Target Pair
LTB4R


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



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against LTB4 (leukotriene) binding


J Med Chem 39: 2629-54 (1996)


Article DOI: 10.1021/jm960088k
BindingDB Entry DOI: 10.7270/Q21J9BFT
More data for this
Ligand-Target Pair
LTB4R


(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 43n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Leukotriene B4 (LTB4) Receptor. (Experiment conducted in the absence of NDGA)


J Med Chem 38: 858-68 (1995)


Article DOI: 10.1021/jm00006a002
BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
LTB4R


(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 300n/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Concentration of the compound inhibiting the binding of [3H]-LTB4 to human neutrophils


J Med Chem 35: 4253-5 (1992)


Article DOI: 10.1021/jm00100a034
BindingDB Entry DOI: 10.7270/Q208648W
More data for this
Ligand-Target Pair
LTB4R


(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 300n/an/an/an/an/an/a



G.D. Searle and Co.

Curated by ChEMBL


Assay Description
Compound was evaluated in a human neutrophil leukotriene B4 receptor binding assay


J Med Chem 32: 1145-7 (1989)


Article DOI: 10.1021/jm00126a001
BindingDB Entry DOI: 10.7270/Q2XK8DJ1
More data for this
Ligand-Target Pair
LTB4R


(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 300n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against leukotriene receptor B4 (LTB4) in human polymorphonuclear cells (PMNs)


J Med Chem 36: 2703-5 (1993)


Article DOI: 10.1021/jm00070a015
BindingDB Entry DOI: 10.7270/Q2HQ3XZC
More data for this
Ligand-Target Pair
LTB4R


(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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PubMed
n/an/a 320n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for Leukotriene B4 (LTB4) receptor


J Med Chem 38: 858-68 (1995)


Article DOI: 10.1021/jm00006a002
BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair