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PubMed code 8057289

Compile data set for download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
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 1


(Homo sapiens (Human))		BDBM50039472
PNG
(7-{3-[2-Ethyl-5-hydroxy-4-(1H-pyrazol-3-yl)-phenox...)
Show SMILES CCCc1c(OCCCOc2cc(O)c(cc2CC)-c2cc[nH]n2)ccc2CCC(Oc12)C(O)=O
Show InChI InChI=1S/C27H32N2O6/c1-3-6-19-23(9-7-18-8-10-24(27(31)32)35-26(18)19)33-13-5-14-34-25-16-22(30)20(15-17(25)4-2)21-11-12-28-29-21/h7,9,11-12,15-16,24,30H,3-6,8,10,13-14H2,1-2H3,(H,28,29)(H,31,32)
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n/an/a 4.5n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Leukotriene B4 binding to human PMN

J Med Chem 37: 2411-20 (1994)


BindingDB Entry DOI: 10.7270/Q29022TR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50039467
PNG
(3-(3-{3-[2-Ethyl-5-hydroxy-4-(1H-pyrazol-3-yl)-phe...)
Show SMILES CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCOc1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C23H26N2O5/c1-2-17-14-19(20-9-10-24-25-20)21(26)15-22(17)30-12-4-11-29-18-6-3-5-16(13-18)7-8-23(27)28/h3,5-6,9-10,13-15,26H,2,4,7-8,11-12H2,1H3,(H,24,25)(H,27,28)
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n/an/a 5.70n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Leukotriene B4 binding to human PMN

J Med Chem 37: 2411-20 (1994)


BindingDB Entry DOI: 10.7270/Q29022TR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50029490
PNG
(4-Ethyl-5-[6-methyl-6-(1H-tetrazol-5-yl)-heptyloxy...)
Show SMILES CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1
Show InChI InChI=1S/C20H28N6O2/c1-4-14-12-15(16-8-10-21-22-16)17(27)13-18(14)28-11-7-5-6-9-20(2,3)19-23-25-26-24-19/h8,10,12-13,27H,4-7,9,11H2,1-3H3,(H,21,22)(H,23,24,25,26)
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n/an/a 6.40n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Leukotriene B4 binding to human PMN

J Med Chem 37: 2411-20 (1994)


BindingDB Entry DOI: 10.7270/Q29022TR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50039478
PNG
(4-Ethyl-2-(1-methyl-1H-pyrazol-3-yl)-5-[6-methyl-6...)
Show SMILES CCc1cc(-c2ccn(C)n2)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1
Show InChI InChI=1S/C21H30N6O2/c1-5-15-13-16(17-9-11-27(4)24-17)18(28)14-19(15)29-12-8-6-7-10-21(2,3)20-22-25-26-23-20/h9,11,13-14,28H,5-8,10,12H2,1-4H3,(H,22,23,25,26)
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n/an/a 9.30n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Leukotriene B4 binding to human PMN

J Med Chem 37: 2411-20 (1994)


BindingDB Entry DOI: 10.7270/Q29022TR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50039471
PNG
((3-{3-[2-Ethyl-5-hydroxy-4-(1H-pyrazol-3-yl)-pheno...)
Show SMILES CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCOc1cccc(CC(O)=O)c1
Show InChI InChI=1S/C22H24N2O5/c1-2-16-13-18(19-7-8-23-24-19)20(25)14-21(16)29-10-4-9-28-17-6-3-5-15(11-17)12-22(26)27/h3,5-8,11,13-14,25H,2,4,9-10,12H2,1H3,(H,23,24)(H,26,27)
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n/an/a 11n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Leukotriene B4 binding to human PMN

J Med Chem 37: 2411-20 (1994)


BindingDB Entry DOI: 10.7270/Q29022TR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50039480
PNG
((2-{3-[2-Ethyl-5-hydroxy-4-(1H-pyrazol-3-yl)-pheno...)
Show SMILES CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCOc1ccccc1CC(O)=O
Show InChI InChI=1S/C22H24N2O5/c1-2-15-12-17(18-8-9-23-24-18)19(25)14-21(15)29-11-5-10-28-20-7-4-3-6-16(20)13-22(26)27/h3-4,6-9,12,14,25H,2,5,10-11,13H2,1H3,(H,23,24)(H,26,27)
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n/an/a 12n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Leukotriene B4 binding to human PMN

J Med Chem 37: 2411-20 (1994)


BindingDB Entry DOI: 10.7270/Q29022TR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50039475
PNG
(3-(4-{5-[2-Ethyl-5-hydroxy-4-(1H-pyrazol-3-yl)-phe...)
Show SMILES CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCCCOc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C25H30N2O5/c1-2-19-16-21(22-12-13-26-27-22)23(28)17-24(19)32-15-5-3-4-14-31-20-9-6-18(7-10-20)8-11-25(29)30/h6-7,9-10,12-13,16-17,28H,2-5,8,11,14-15H2,1H3,(H,26,27)(H,29,30)
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n/an/a 28n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Leukotriene B4 binding to human PMN

J Med Chem 37: 2411-20 (1994)


BindingDB Entry DOI: 10.7270/Q29022TR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50039477
PNG
((4-{3-[2-Ethyl-5-hydroxy-4-(1H-pyrazol-3-yl)-pheno...)
Show SMILES CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCOc1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C22H24N2O5/c1-2-16-13-18(19-8-9-23-24-19)20(25)14-21(16)29-11-3-10-28-17-6-4-15(5-7-17)12-22(26)27/h4-9,13-14,25H,2-3,10-12H2,1H3,(H,23,24)(H,26,27)
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n/an/a 54n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Leukotriene B4 binding to human PMN

J Med Chem 37: 2411-20 (1994)


BindingDB Entry DOI: 10.7270/Q29022TR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50039469
PNG
((4-{5-[2-Ethyl-5-hydroxy-4-(1H-pyrazol-3-yl)-pheno...)
Show SMILES CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCCCOc1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C24H28N2O5/c1-2-18-15-20(21-10-11-25-26-21)22(27)16-23(18)31-13-5-3-4-12-30-19-8-6-17(7-9-19)14-24(28)29/h6-11,15-16,27H,2-5,12-14H2,1H3,(H,25,26)(H,28,29)
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n/an/a 55n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Leukotriene B4 binding to human PMN

J Med Chem 37: 2411-20 (1994)


BindingDB Entry DOI: 10.7270/Q29022TR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50039470
PNG
(4-{5-[2-Ethyl-5-hydroxy-4-(1H-pyrazol-3-yl)-phenox...)
Show SMILES CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCCCOc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H26N2O5/c1-2-16-14-19(20-10-11-24-25-20)21(26)15-22(16)30-13-5-3-4-12-29-18-8-6-17(7-9-18)23(27)28/h6-11,14-15,26H,2-5,12-13H2,1H3,(H,24,25)(H,27,28)
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n/an/a 82n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Leukotriene B4 binding to human PMN

J Med Chem 37: 2411-20 (1994)


BindingDB Entry DOI: 10.7270/Q29022TR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (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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n/an/a 85.1n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Leukotriene B4 binding to human PMN

J Med Chem 37: 2411-20 (1994)


BindingDB Entry DOI: 10.7270/Q29022TR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50039468
PNG
(3-(4-{3-[2-Ethyl-5-hydroxy-4-(1H-pyrazol-3-yl)-phe...)
Show SMILES CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCOc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C23H26N2O5/c1-2-17-14-19(20-10-11-24-25-20)21(26)15-22(17)30-13-3-12-29-18-7-4-16(5-8-18)6-9-23(27)28/h4-5,7-8,10-11,14-15,26H,2-3,6,9,12-13H2,1H3,(H,24,25)(H,27,28)
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n/an/a 87n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Leukotriene B4 binding to human PMN

J Med Chem 37: 2411-20 (1994)


BindingDB Entry DOI: 10.7270/Q29022TR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50039476
PNG
(4-Ethyl-2-(2-methyl-2H-pyrazol-3-yl)-5-[6-methyl-6...)
Show SMILES CCc1cc(-c2ccnn2C)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1
Show InChI InChI=1S/C21H30N6O2/c1-5-15-13-16(17-9-11-22-27(17)4)18(28)14-19(15)29-12-8-6-7-10-21(2,3)20-23-25-26-24-20/h9,11,13-14,28H,5-8,10,12H2,1-4H3,(H,23,24,25,26)
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n/an/a 107n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Leukotriene B4 binding to human PMN

J Med Chem 37: 2411-20 (1994)


BindingDB Entry DOI: 10.7270/Q29022TR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50039473
PNG
(7-{3-[4-((E)-3-Dimethylamino-acryloyl)-2-ethyl-5-h...)
Show SMILES CCCc1c(OCCCOc2cc(O)c(cc2CC)C(=O)\C=C\N(C)C)ccc2CCC(Oc12)C(O)=O
Show InChI InChI=1S/C29H37NO7/c1-5-8-21-25(11-9-20-10-12-26(29(33)34)37-28(20)21)35-15-7-16-36-27-18-24(32)22(17-19(27)6-2)23(31)13-14-30(3)4/h9,11,13-14,17-18,26,32H,5-8,10,12,15-16H2,1-4H3,(H,33,34)/b14-13+
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n/an/a 319n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Leukotriene B4 binding to human PMN

J Med Chem 37: 2411-20 (1994)


BindingDB Entry DOI: 10.7270/Q29022TR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50039479
PNG
(3-(3-{3-[2-Ethyl-5-hydroxy-4-(1H-pyrazol-3-yl)-phe...)
Show SMILES CCCc1ccc(CCC(O)=O)cc1OCCCOc1cc(O)c(cc1CC)-c1cc[nH]n1
Show InChI InChI=1S/C26H32N2O5/c1-3-6-20-9-7-18(8-10-26(30)31)15-24(20)32-13-5-14-33-25-17-23(29)21(16-19(25)4-2)22-11-12-27-28-22/h7,9,11-12,15-17,29H,3-6,8,10,13-14H2,1-2H3,(H,27,28)(H,30,31)
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n/an/a 738n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Leukotriene B4 binding to human PMN

J Med Chem 37: 2411-20 (1994)


BindingDB Entry DOI: 10.7270/Q29022TR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50039481
PNG
(3-(3-{3-[2-Ethyl-5-hydroxy-4-(1H-pyrazol-3-yl)-phe...)
Show SMILES CCCc1c(CCC(O)=O)cccc1OCCCOc1cc(O)c(cc1CC)-c1cc[nH]n1
Show InChI InChI=1S/C26H32N2O5/c1-3-7-20-19(10-11-26(30)31)8-5-9-24(20)32-14-6-15-33-25-17-23(29)21(16-18(25)4-2)22-12-13-27-28-22/h5,8-9,12-13,16-17,29H,3-4,6-7,10-11,14-15H2,1-2H3,(H,27,28)(H,30,31)
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n/an/a 834n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Leukotriene B4 binding to human PMN

J Med Chem 37: 2411-20 (1994)


BindingDB Entry DOI: 10.7270/Q29022TR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50039474
PNG
(3-(3-{3-[4-(1H-Pyrazol-3-yl)-phenoxy]-propoxy}-phe...)
Show SMILES OC(=O)CCc1cccc(OCCCOc2ccc(cc2)-c2cc[nH]n2)c1
Show InChI InChI=1S/C21H22N2O4/c24-21(25)10-5-16-3-1-4-19(15-16)27-14-2-13-26-18-8-6-17(7-9-18)20-11-12-22-23-20/h1,3-4,6-9,11-12,15H,2,5,10,13-14H2,(H,22,23)(H,24,25)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Leukotriene B4 binding to human PMN

J Med Chem 37: 2411-20 (1994)


BindingDB Entry DOI: 10.7270/Q29022TR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%