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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'LTB4R' and Ligand = 'BDBM50280286'   
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))
BDBM50280286
PNG
(4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetraazol-5-yl)h...)
Show SMILES CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C22H35N4O3/c1-5-7-10-13-29-20-15-17(6-2)19(16-18(20)27)28-14-11-8-9-12-22(3,4)21-23-25-26-24-21/h15-16H,5-14H2,1-4H3,(H-,23,24,25,26,27)/q-1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Guinea pig membrane LTB4 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))
BDBM50280286
PNG
(4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetraazol-5-yl)h...)
Show SMILES CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C22H35N4O3/c1-5-7-10-13-29-20-15-17(6-2)19(16-18(20)27)28-14-11-8-9-12-22(3,4)21-23-25-26-24-21/h15-16H,5-14H2,1-4H3,(H-,23,24,25,26,27)/q-1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
23n/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