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BDBM50001609 8-Benzyloxy-4-[(methyl-phenethyl-carbamoyl)-methyl]-naphthalene-2-carboxylic acid::8-Benzyloxy-4-[(methyl-phenethyl-carbamoyl)-methyl]-naphthalene-2-carboxylic acid (RG14893)::CHEMBL328712

SMILES: CN(CCc1ccccc1)C(=O)Cc1cc(cc2c(OCc3ccccc3)cccc12)C(O)=O

InChI Key: InChIKey=VPJQGXIZXVPFOC-UHFFFAOYSA-N

Data: 4 KI  5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50001609   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
LTB4R


(HUMAN)
BDBM50001609
PNG
(8-Benzyloxy-4-[(methyl-phenethyl-carbamoyl)-methyl...)
Show SMILES CN(CCc1ccccc1)C(=O)Cc1cc(cc2c(OCc3ccccc3)cccc12)C(O)=O
Show InChI InChI=1S/C29H27NO4/c1-30(16-15-21-9-4-2-5-10-21)28(31)19-23-17-24(29(32)33)18-26-25(23)13-8-14-27(26)34-20-22-11-6-3-7-12-22/h2-14,17-18H,15-16,19-20H2,1H3,(H,32,33)
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n/an/a 4.70n/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Concentration of the compound inhibiting the binding of [3H]-LTB4 to human whole cell neutrophils


J Med Chem 35: 4253-5 (1992)


Article DOI: 10.1021/jm00100a034
BindingDB Entry DOI: 10.7270/Q208648W
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001609
PNG
(8-Benzyloxy-4-[(methyl-phenethyl-carbamoyl)-methyl...)
Show SMILES CN(CCc1ccccc1)C(=O)Cc1cc(cc2c(OCc3ccccc3)cccc12)C(O)=O
Show InChI InChI=1S/C29H27NO4/c1-30(16-15-21-9-4-2-5-10-21)28(31)19-23-17-24(29(32)33)18-26-25(23)13-8-14-27(26)34-20-22-11-6-3-7-12-22/h2-14,17-18H,15-16,19-20H2,1H3,(H,32,33)
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0.140n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Affinity of the compound for guinea pig PMN LTB-4 receptors.


J Med Chem 35: 4253-5 (1992)


Article DOI: 10.1021/jm00100a034
BindingDB Entry DOI: 10.7270/Q208648W
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001609
PNG
(8-Benzyloxy-4-[(methyl-phenethyl-carbamoyl)-methyl...)
Show SMILES CN(CCc1ccccc1)C(=O)Cc1cc(cc2c(OCc3ccccc3)cccc12)C(O)=O
Show InChI InChI=1S/C29H27NO4/c1-30(16-15-21-9-4-2-5-10-21)28(31)19-23-17-24(29(32)33)18-26-25(23)13-8-14-27(26)34-20-22-11-6-3-7-12-22/h2-14,17-18H,15-16,19-20H2,1H3,(H,32,33)
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n/an/a 9n/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against monkey neutrophil LTB4 receptor 2 min after an iv dose of 3 mg/kg .


J Med Chem 35: 4253-5 (1992)


Article DOI: 10.1021/jm00100a034
BindingDB Entry DOI: 10.7270/Q208648W
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001609
PNG
(8-Benzyloxy-4-[(methyl-phenethyl-carbamoyl)-methyl...)
Show SMILES CN(CCc1ccccc1)C(=O)Cc1cc(cc2c(OCc3ccccc3)cccc12)C(O)=O
Show InChI InChI=1S/C29H27NO4/c1-30(16-15-21-9-4-2-5-10-21)28(31)19-23-17-24(29(32)33)18-26-25(23)13-8-14-27(26)34-20-22-11-6-3-7-12-22/h2-14,17-18H,15-16,19-20H2,1H3,(H,32,33)
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2n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Affinity of the compound for human PMN LTB-4 receptors.


J Med Chem 35: 4253-5 (1992)


Article DOI: 10.1021/jm00100a034
BindingDB Entry DOI: 10.7270/Q208648W
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001609
PNG
(8-Benzyloxy-4-[(methyl-phenethyl-carbamoyl)-methyl...)
Show SMILES CN(CCc1ccccc1)C(=O)Cc1cc(cc2c(OCc3ccccc3)cccc12)C(O)=O
Show InChI InChI=1S/C29H27NO4/c1-30(16-15-21-9-4-2-5-10-21)28(31)19-23-17-24(29(32)33)18-26-25(23)13-8-14-27(26)34-20-22-11-6-3-7-12-22/h2-14,17-18H,15-16,19-20H2,1H3,(H,32,33)
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n/an/a 4.70n/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Compound tested for binding affinity against Leukotriene B4 receptor using radioligand binding assay from Human PMN cells


J Med Chem 39: 3748-55 (1996)


Article DOI: 10.1021/jm9506985
BindingDB Entry DOI: 10.7270/Q2862FJG
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001609
PNG
(8-Benzyloxy-4-[(methyl-phenethyl-carbamoyl)-methyl...)
Show SMILES CN(CCc1ccccc1)C(=O)Cc1cc(cc2c(OCc3ccccc3)cccc12)C(O)=O
Show InChI InChI=1S/C29H27NO4/c1-30(16-15-21-9-4-2-5-10-21)28(31)19-23-17-24(29(32)33)18-26-25(23)13-8-14-27(26)34-20-22-11-6-3-7-12-22/h2-14,17-18H,15-16,19-20H2,1H3,(H,32,33)
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n/an/a 0.360n/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against LTB4 receptor using guinea pig (GP) spleen cell membrane


J Med Chem 35: 4253-5 (1992)


Article DOI: 10.1021/jm00100a034
BindingDB Entry DOI: 10.7270/Q208648W
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001609
PNG
(8-Benzyloxy-4-[(methyl-phenethyl-carbamoyl)-methyl...)
Show SMILES CN(CCc1ccccc1)C(=O)Cc1cc(cc2c(OCc3ccccc3)cccc12)C(O)=O
Show InChI InChI=1S/C29H27NO4/c1-30(16-15-21-9-4-2-5-10-21)28(31)19-23-17-24(29(32)33)18-26-25(23)13-8-14-27(26)34-20-22-11-6-3-7-12-22/h2-14,17-18H,15-16,19-20H2,1H3,(H,32,33)
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2n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement of [3H]-LTB4.


J Med Chem 37: 3327-36 (1994)


Article DOI: 10.1021/jm00046a017
BindingDB Entry DOI: 10.7270/Q2HT2NC3
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001609
PNG
(8-Benzyloxy-4-[(methyl-phenethyl-carbamoyl)-methyl...)
Show SMILES CN(CCc1ccccc1)C(=O)Cc1cc(cc2c(OCc3ccccc3)cccc12)C(O)=O
Show InChI InChI=1S/C29H27NO4/c1-30(16-15-21-9-4-2-5-10-21)28(31)19-23-17-24(29(32)33)18-26-25(23)13-8-14-27(26)34-20-22-11-6-3-7-12-22/h2-14,17-18H,15-16,19-20H2,1H3,(H,32,33)
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2n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against LTB4 receptors in human PMNs using [3H]-LTB4 as radioligand


J Med Chem 36: 2703-5 (1993)


Article DOI: 10.1021/jm00070a015
BindingDB Entry DOI: 10.7270/Q2HQ3XZC
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001609
PNG
(8-Benzyloxy-4-[(methyl-phenethyl-carbamoyl)-methyl...)
Show SMILES CN(CCc1ccccc1)C(=O)Cc1cc(cc2c(OCc3ccccc3)cccc12)C(O)=O
Show InChI InChI=1S/C29H27NO4/c1-30(16-15-21-9-4-2-5-10-21)28(31)19-23-17-24(29(32)33)18-26-25(23)13-8-14-27(26)34-20-22-11-6-3-7-12-22/h2-14,17-18H,15-16,19-20H2,1H3,(H,32,33)
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n/an/a 0.800n/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Concentration of the compound inhibiting 1 nM LTB4-induced aggregation in GP polymorphonuclear (PMN) leukocytes.


J Med Chem 35: 4253-5 (1992)


Article DOI: 10.1021/jm00100a034
BindingDB Entry DOI: 10.7270/Q208648W
More data for this
Ligand-Target Pair