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BDBM50087677 2-{3-[(E)-7-(4-Azido-3-iodo-phenyl)-3-hydroxy-hept-1-enyl]-1-hydroxy-cyclohexyl}-N,N-dimethyl-acetamide::CHEMBL352717

SMILES: CN(C)C(=O)CC1(O)CCCC(C1)\C=C\C(O)CCCCc1ccc(N=[N+]=[N-])c(I)c1

InChI Key: InChIKey=PDKBOKVLGLOOGX-PKNBQFBNSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50087677   
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
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50087677
PNG
(2-{3-[(E)-7-(4-Azido-3-iodo-phenyl)-3-hydroxy-hept...)
Show SMILES CN(C)C(=O)CC1(O)CCCC(C1)\C=C\C(O)CCCCc1ccc(N=[N+]=[N-])c(I)c1
Show InChI InChI=1S/C23H33IN4O3/c1-28(2)22(30)16-23(31)13-5-7-18(15-23)9-11-19(29)8-4-3-6-17-10-12-21(26-27-25)20(24)14-17/h9-12,14,18-19,29,31H,3-8,13,15-16H2,1-2H3/b11-9+
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



UPRESA-CNRS 5074

Curated by ChEMBL


Assay Description
Compound was tested for inhibition against binding of radioligand [3H]-LTB4 to Leukotriene B4 receptor in human neutrophil membranes


Bioorg Med Chem Lett 10: 811-4 (2000)


BindingDB Entry DOI: 10.7270/Q2W37VHF
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50087677
PNG
(2-{3-[(E)-7-(4-Azido-3-iodo-phenyl)-3-hydroxy-hept...)
Show SMILES CN(C)C(=O)CC1(O)CCCC(C1)\C=C\C(O)CCCCc1ccc(N=[N+]=[N-])c(I)c1
Show InChI InChI=1S/C23H33IN4O3/c1-28(2)22(30)16-23(31)13-5-7-18(15-23)9-11-19(29)8-4-3-6-17-10-12-21(26-27-25)20(24)14-17/h9-12,14,18-19,29,31H,3-8,13,15-16H2,1-2H3/b11-9+
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



UPRESA-CNRS 5074

Curated by ChEMBL


Assay Description
Compound was tested for inhibition against binding of radioligand [3H]-LTB4 to Leukotriene B4 receptor in human neutrophil membranes


Bioorg Med Chem Lett 10: 811-4 (2000)


BindingDB Entry DOI: 10.7270/Q2W37VHF
More data for this
Ligand-Target Pair