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BDBM50036749 1-{5-ethyl-2-hydroxy-4-[6-methyl-6-(2H-1,2,3,4-tetraazol-5-yl)heptyloxy]phenyl}-1-ethanone; with sodium ion::CHEMBL45460::LY-255283::Sodium salt of 1-{5-Ethyl-2-hydroxy-4-[6-methyl-6-(2H-tetrazol-5-yl)-heptyloxy]-phenyl}-ethanone::sodium 1-{5-ethyl-2-hydroxy-4-[6-methyl-6-(2H-1,2,3,4-tetraazol-5-yl)heptyloxy]phenyl}-1-ethanone

SMILES: CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1

InChI Key: InChIKey=FKBUCAKNDBEHSA-UHFFFAOYSA-M

Data: 4 KI  4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50036749   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50036749
PNG
(1-{5-ethyl-2-hydroxy-4-[6-methyl-6-(2H-1,2,3,4-tet...)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1
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/h11-12H,5-10H2,1-4H3,(H2,20,21,22,23,24,25)/p-1
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66n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 1995-2000 (1995)


Article DOI: 10.1016/0960-894X(95)00340-Y
BindingDB Entry DOI: 10.7270/Q2JW8DVR
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50036749
PNG
(1-{5-ethyl-2-hydroxy-4-[6-methyl-6-(2H-1,2,3,4-tet...)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1
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/h11-12H,5-10H2,1-4H3,(H2,20,21,22,23,24,25)/p-1
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78n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for receptor binding against [3H]-LTB4 radioligand binding to Leukotriene B4 receptor in guinea pig lung membrane binding assa...


Bioorg Med Chem Lett 2: 1669-1674 (1992)


Article DOI: 10.1016/S0960-894X(00)80453-9
BindingDB Entry DOI: 10.7270/Q2PN95KG
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50036749
PNG
(1-{5-ethyl-2-hydroxy-4-[6-methyl-6-(2H-1,2,3,4-tet...)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1
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/h11-12H,5-10H2,1-4H3,(H2,20,21,22,23,24,25)/p-1
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78n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL




J Med Chem 36: 3978-81 (1993)


Article DOI: 10.1021/jm00076a029
BindingDB Entry DOI: 10.7270/Q20V8G1H
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50036749
PNG
(1-{5-ethyl-2-hydroxy-4-[6-methyl-6-(2H-1,2,3,4-tet...)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1
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/h11-12H,5-10H2,1-4H3,(H2,20,21,22,23,24,25)/p-1
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128n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human neutrophil Receptor.


Bioorg Med Chem Lett 5: 1995-2000 (1995)


Article DOI: 10.1016/0960-894X(95)00340-Y
BindingDB Entry DOI: 10.7270/Q2JW8DVR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50036749
PNG
(1-{5-ethyl-2-hydroxy-4-[6-methyl-6-(2H-1,2,3,4-tet...)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1
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/h11-12H,5-10H2,1-4H3,(H2,20,21,22,23,24,25)/p-1
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n/an/a 2.87E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL




J Med Chem 36: 3978-81 (1993)


Article DOI: 10.1021/jm00076a029
BindingDB Entry DOI: 10.7270/Q20V8G1H
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50036749
PNG
(1-{5-ethyl-2-hydroxy-4-[6-methyl-6-(2H-1,2,3,4-tet...)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1
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/h11-12H,5-10H2,1-4H3,(H2,20,21,22,23,24,25)/p-1
UniProtKB/SwissProt

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n/an/a 85n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for receptor binding against [3H]-LTB4 radioligand binding to Leukotriene B4 receptor in guinea pig lung membrane binding assa...


Bioorg Med Chem Lett 2: 1669-1674 (1992)


Article DOI: 10.1016/S0960-894X(00)80453-9
BindingDB Entry DOI: 10.7270/Q2PN95KG
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50036749
PNG
(1-{5-ethyl-2-hydroxy-4-[6-methyl-6-(2H-1,2,3,4-tet...)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1
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/h11-12H,5-10H2,1-4H3,(H2,20,21,22,23,24,25)/p-1
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n/an/a 85n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL




J Med Chem 36: 3978-81 (1993)


Article DOI: 10.1021/jm00076a029
BindingDB Entry DOI: 10.7270/Q20V8G1H
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50036749
PNG
(1-{5-ethyl-2-hydroxy-4-[6-methyl-6-(2H-1,2,3,4-tet...)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1
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/h11-12H,5-10H2,1-4H3,(H2,20,21,22,23,24,25)/p-1
UniProtKB/SwissProt

antibodypedia
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n/an/a 2.87E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 1995-2000 (1995)


Article DOI: 10.1016/0960-894X(95)00340-Y
BindingDB Entry DOI: 10.7270/Q2JW8DVR
More data for this
Ligand-Target Pair