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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Leukotriene B4 receptor' and Ligand = 'BDBM50036750'   
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))
BDBM50036750
PNG
(2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetraaz...)
Show SMILES CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C19H29N4O3/c1-5-14-12-17(25-6-2)15(24)13-16(14)26-11-9-7-8-10-19(3,4)18-20-22-23-21-18/h12-13H,5-11H2,1-4H3,(H-,20,21,22,23,24)/q-1
UniProtKB/SwissProt

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4.80n/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))
BDBM50036750
PNG
(2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetraaz...)
Show SMILES CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C19H29N4O3/c1-5-14-12-17(25-6-2)15(24)13-16(14)26-11-9-7-8-10-19(3,4)18-20-22-23-21-18/h12-13H,5-11H2,1-4H3,(H-,20,21,22,23,24)/q-1
UniProtKB/SwissProt

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14n/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
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50036750
PNG
(2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetraaz...)
Show SMILES CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C19H29N4O3/c1-5-14-12-17(25-6-2)15(24)13-16(14)26-11-9-7-8-10-19(3,4)18-20-22-23-21-18/h12-13H,5-11H2,1-4H3,(H-,20,21,22,23,24)/q-1
UniProtKB/SwissProt

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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for receptor binding against [3H]-LTB4 radioligand to Leukotriene B4 receptor in human neutrophil binding assay


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))
BDBM50036750
PNG
(2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetraaz...)
Show SMILES CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C19H29N4O3/c1-5-14-12-17(25-6-2)15(24)13-16(14)26-11-9-7-8-10-19(3,4)18-20-22-23-21-18/h12-13H,5-11H2,1-4H3,(H-,20,21,22,23,24)/q-1
UniProtKB/SwissProt

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n/an/a 4.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-LTB4 radioligand binding to leukotriene B4 receptor in human neutrophil binding assay


Bioorg Med Chem Lett 2: 1675-1680 (1992)


Article DOI: 10.1016/S0960-894X(00)80454-0
BindingDB Entry DOI: 10.7270/Q2JW8DT9
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50036750
PNG
(2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetraaz...)
Show SMILES CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C19H29N4O3/c1-5-14-12-17(25-6-2)15(24)13-16(14)26-11-9-7-8-10-19(3,4)18-20-22-23-21-18/h12-13H,5-11H2,1-4H3,(H-,20,21,22,23,24)/q-1
UniProtKB/SwissProt

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n/an/a 8.40n/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))
BDBM50036750
PNG
(2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetraaz...)
Show SMILES CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C19H29N4O3/c1-5-14-12-17(25-6-2)15(24)13-16(14)26-11-9-7-8-10-19(3,4)18-20-22-23-21-18/h12-13H,5-11H2,1-4H3,(H-,20,21,22,23,24)/q-1
UniProtKB/SwissProt

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n/an/a 206n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 2: 1675-1680 (1992)


Article DOI: 10.1016/S0960-894X(00)80454-0
BindingDB Entry DOI: 10.7270/Q2JW8DT9
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50036750
PNG
(2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetraaz...)
Show SMILES CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C19H29N4O3/c1-5-14-12-17(25-6-2)15(24)13-16(14)26-11-9-7-8-10-19(3,4)18-20-22-23-21-18/h12-13H,5-11H2,1-4H3,(H-,20,21,22,23,24)/q-1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 206n/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))
BDBM50036750
PNG
(2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetraaz...)
Show SMILES CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C19H29N4O3/c1-5-14-12-17(25-6-2)15(24)13-16(14)26-11-9-7-8-10-19(3,4)18-20-22-23-21-18/h12-13H,5-11H2,1-4H3,(H-,20,21,22,23,24)/q-1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 206n/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