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PubMed code 8809164

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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

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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
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50053250
PNG
(2-(5-Benzyloxy-3-formyl-indol-1-yl)-N-methyl-N-phe...)
Show SMILES CN(CCc1ccccc1)C(=O)Cn1cc(C=O)c2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C27H26N2O3/c1-28(15-14-21-8-4-2-5-9-21)27(31)18-29-17-23(19-30)25-16-24(12-13-26(25)29)32-20-22-10-6-3-7-11-22/h2-13,16-17,19H,14-15,18,20H2,1H3
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Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Compound was evaluated for Leukotriene B4 receptor binding, obtained from radioligand binding assay using guinea pig spleen cell membrane


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))
BDBM50053250
PNG
(2-(5-Benzyloxy-3-formyl-indol-1-yl)-N-methyl-N-phe...)
Show SMILES CN(CCc1ccccc1)C(=O)Cn1cc(C=O)c2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C27H26N2O3/c1-28(15-14-21-8-4-2-5-9-21)27(31)18-29-17-23(19-30)25-16-24(12-13-26(25)29)32-20-22-10-6-3-7-11-22/h2-13,16-17,19H,14-15,18,20H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Compound was evaluated for Leukotriene B4 receptor binding, obtained from radioligand binding assay using guinea pig spleen cell membrane


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))
BDBM50053240
PNG
((E)-3-{5-Benzyloxy-1-[(methyl-phenethyl-carbamoyl)...)
Show SMILES CCOC(=O)\C=C\c1cn(CC(=O)N(C)CCc2ccccc2)c2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C31H32N2O4/c1-3-36-31(35)17-14-26-21-33(22-30(34)32(2)19-18-24-10-6-4-7-11-24)29-16-15-27(20-28(26)29)37-23-25-12-8-5-9-13-25/h4-17,20-21H,3,18-19,22-23H2,1-2H3/b17-14+
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>300n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Compound was evaluated for Leukotriene B4 receptor binding, obtained from radioligand binding assay using guinea pig spleen cell membrane


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
* indicates data uncertainty>20%