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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 = 'BDBM50053237'   
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))
BDBM50053237
PNG
(8-Benzyloxy-4-[(methyl-phenethyl-carbamoyl)-methyl...)
Show SMILES CN(O)C(=O)c1cc(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c2c1
Show InChI InChI=1S/C30H30N2O4/c1-31(17-16-22-10-5-3-6-11-22)29(33)20-24-18-25(30(34)32(2)35)19-27-26(24)14-9-15-28(27)36-21-23-12-7-4-8-13-23/h3-15,18-19,35H,16-17,20-21H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Compound was evaluated for LTB4 receptor binding, obtained from radioligand binding assay using human intact neutrophils PMN


J Med Chem 39: 3756-68 (1996)


Article DOI: 10.1021/jm950699x
BindingDB Entry DOI: 10.7270/Q24F1PTR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50053237
PNG
(8-Benzyloxy-4-[(methyl-phenethyl-carbamoyl)-methyl...)
Show SMILES CN(O)C(=O)c1cc(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c2c1
Show InChI InChI=1S/C30H30N2O4/c1-31(17-16-22-10-5-3-6-11-22)29(33)20-24-18-25(30(34)32(2)35)19-27-26(24)14-9-15-28(27)36-21-23-12-7-4-8-13-23/h3-15,18-19,35H,16-17,20-21H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Compound was evaluated for LTB4 receptor binding, obtained from radioligand binding assay using human intact neutrophils PMN


J Med Chem 39: 3756-68 (1996)


Article DOI: 10.1021/jm950699x
BindingDB Entry DOI: 10.7270/Q24F1PTR
More data for this
Ligand-Target Pair