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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'LTB4R' and Ligand = 'BDBM50280290'   
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))
BDBM50280290
PNG
(4-ethyl-2-methoxy-5-[6-methyl-6-(2H-1,2,3,4-tetraa...)
Show SMILES CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1
Show InChI InChI=1S/C18H27N4O3/c1-5-13-11-16(24-4)14(23)12-15(13)25-10-8-6-7-9-18(2,3)17-19-21-22-20-17/h11-12H,5-10H2,1-4H3,(H-,19,20,21,22,23)/q-1
UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
3.5n/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
LTB4R


(Homo sapiens (Human))
BDBM50280290
PNG
(4-ethyl-2-methoxy-5-[6-methyl-6-(2H-1,2,3,4-tetraa...)
Show SMILES CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1
Show InChI InChI=1S/C18H27N4O3/c1-5-13-11-16(24-4)14(23)12-15(13)25-10-8-6-7-9-18(2,3)17-19-21-22-20-17/h11-12H,5-10H2,1-4H3,(H-,19,20,21,22,23)/q-1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
25n/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
LTB4R


(Homo sapiens (Human))
BDBM50280290
PNG
(4-ethyl-2-methoxy-5-[6-methyl-6-(2H-1,2,3,4-tetraa...)
Show SMILES CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1
Show InChI InChI=1S/C18H27N4O3/c1-5-13-11-16(24-4)14(23)12-15(13)25-10-8-6-7-9-18(2,3)17-19-21-22-20-17/h11-12H,5-10H2,1-4H3,(H-,19,20,21,22,23)/q-1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
25n/an/an/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 guinea pig lung membrane 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