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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Leukotriene B4 receptor 1' and Ligand = 'BDBM50174606'   
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


(Homo sapiens (Human))
BDBM50174606
PNG
(CHEMBL384950 | HYNIC Analogue)
Show SMILES CC(C)(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)c1ccc(N=NCc2ccccc2S([O-])(=O)=O)nc1 |w:58.61|
Show InChI InChI=1S/C53H66N10O9S/c1-53(2,26-12-14-32-72-50-38-45(41-17-5-3-6-18-41)37-46(58-50)42-19-7-4-8-20-42)52-60-61-62-63(52)29-13-11-23-49(64)54-27-15-30-69-33-35-71-36-34-70-31-16-28-55-51(65)44-24-25-48(56-39-44)59-57-40-43-21-9-10-22-47(43)73(66,67)68/h3-10,17-22,24-25,37-39H,11-16,23,26-36,40H2,1-2H3,(H,54,64)(H,55,65)(H,66,67,68)/p-1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 44n/an/an/an/a7.2n/a



Bristol-Myers Squibb Medical Imaging

Curated by ChEMBL


Assay Description
Inhibitory concentration against human leukotriene B4 receptor using competing agent [111In]-(17)] as radioligand in pH 7.2 buffer, for 1 h at 37 deg...


J Med Chem 48: 6442-53 (2005)


Article DOI: 10.1021/jm050383h
BindingDB Entry DOI: 10.7270/Q2959H33
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50174606
PNG
(CHEMBL384950 | HYNIC Analogue)
Show SMILES CC(C)(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)c1ccc(N=NCc2ccccc2S([O-])(=O)=O)nc1 |w:58.61|
Show InChI InChI=1S/C53H66N10O9S/c1-53(2,26-12-14-32-72-50-38-45(41-17-5-3-6-18-41)37-46(58-50)42-19-7-4-8-20-42)52-60-61-62-63(52)29-13-11-23-49(64)54-27-15-30-69-33-35-71-36-34-70-31-16-28-55-51(65)44-24-25-48(56-39-44)59-57-40-43-21-9-10-22-47(43)73(66,67)68/h3-10,17-22,24-25,37-39H,11-16,23,26-36,40H2,1-2H3,(H,54,64)(H,55,65)(H,66,67,68)/p-1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 45n/an/an/an/a7.2n/a



Bristol-Myers Squibb Medical Imaging

Curated by ChEMBL


Assay Description
Inhibitory concentration against human leukotriene B4 receptor using competing agent [3H]-LTB4 as radioligand in pH 7.2 buffer upon incubation for 1 ...


J Med Chem 48: 6442-53 (2005)


Article DOI: 10.1021/jm050383h
BindingDB Entry DOI: 10.7270/Q2959H33
More data for this
Ligand-Target Pair