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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Leukotriene B4 receptor 1/2' and Ligand = 'BDBM50036749'   
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 1/2


(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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Article
PubMed
78n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]LTB4 receptor binding in guinea pig lung membrane


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 1/2


(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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PubMed
n/an/a 85n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]LTB4 receptor binding in human neutrophils


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 1/2


(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


Assay Description
Inhibition of LTB4-induced human neutrophil CD11b/CD18 integrin up-regulation


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 1/2


(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
PDB

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CHEMBL
PC cid
PC sid
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Article
n/an/a 2.87E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
LTB4-induced up-regulation of CD11b/CD18 in human neutrophils


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