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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50005896   
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))
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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360n/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))
BDBM50042187
PNG
(4-[4-(2-Amino-5-benzyl-1-methyl-1H-imidazol-4-ylme...)
Show SMILES Cn1c(N)nc(Cc2ccc(CCCCO)cc2)c1Cc1ccccc1
Show InChI InChI=1S/C22H27N3O/c1-25-21(16-18-8-3-2-4-9-18)20(24-22(25)23)15-19-12-10-17(11-13-19)7-5-6-14-26/h2-4,8-13,26H,5-7,14-16H2,1H3,(H2,23,24)
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2.40E+3n/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))
BDBM50042185
PNG
(4,5-Bis-benzo[1,3]dioxol-5-ylmethyl-1-methyl-1H-im...)
Show SMILES Cn1c(N)nc(Cc2ccc3OCOc3c2)c1Cc1ccc2OCOc2c1
Show InChI InChI=1S/C20H19N3O4/c1-23-15(7-13-3-5-17-19(9-13)27-11-25-17)14(22-20(23)21)6-12-2-4-16-18(8-12)26-10-24-16/h2-5,8-9H,6-7,10-11H2,1H3,(H2,21,22)
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3.50E+3n/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))
BDBM50042188
PNG
(4,5-Dibenzyl-1H-imidazol-2-ylamine | CHEMBL116278)
Show SMILES Nc1nc(Cc2ccccc2)c(Cc2ccccc2)[nH]1
Show InChI InChI=1S/C17H17N3/c18-17-19-15(11-13-7-3-1-4-8-13)16(20-17)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,18,19,20)
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9.00E+3n/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))
BDBM50042190
PNG
(4,5-Dibenzyl-1-methyl-1H-imidazol-2-ylamine | CHEM...)
Show SMILES Cn1c(N)nc(Cc2ccccc2)c1Cc1ccccc1
Show InChI InChI=1S/C18H19N3/c1-21-17(13-15-10-6-3-7-11-15)16(20-18(21)19)12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H2,19,20)
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1.90E+4n/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))
BDBM50042186
PNG
(5-Benzyl-4-(3-methoxy-benzyl)-1-methyl-1H-imidazol...)
Show SMILES COc1cccc(Cc2nc(N)n(C)c2Cc2ccccc2)c1
Show InChI InChI=1S/C19H21N3O/c1-22-18(13-14-7-4-3-5-8-14)17(21-19(22)20)12-15-9-6-10-16(11-15)23-2/h3-11H,12-13H2,1-2H3,(H2,20,21)
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PubMed
2.70E+4n/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