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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'fMet-Leu-Phe receptor 1/2' and Ligand = 'BDBM40416'   
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
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM40416
PNG
(2-thiophenecarboxylic acid [3-(2-chlorophenyl)-4-o...)
Show SMILES FC(F)(F)c1oc2cc(OC(=O)c3cccs3)ccc2c(=O)c1-c1ccccc1Cl
Show InChI InChI=1S/C21H10ClF3O4S/c22-14-5-2-1-4-12(14)17-18(26)13-8-7-11(28-20(27)16-6-3-9-30-16)10-15(13)29-19(17)21(23,24)25/h1-10H
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KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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PCBioAssay
1.10E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z31X1B
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (human))
BDBM40416
PNG
(2-thiophenecarboxylic acid [3-(2-chlorophenyl)-4-o...)
Show SMILES FC(F)(F)c1oc2cc(OC(=O)c3cccs3)ccc2c(=O)c1-c1ccccc1Cl
Show InChI InChI=1S/C21H10ClF3O4S/c22-14-5-2-1-4-12(14)17-18(26)13-8-7-11(28-20(27)16-6-3-9-30-16)10-15(13)29-19(17)21(23,24)25/h1-10H
NCI pathway
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KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
>4.03E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q26M3571
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM40416
PNG
(2-thiophenecarboxylic acid [3-(2-chlorophenyl)-4-o...)
Show SMILES FC(F)(F)c1oc2cc(OC(=O)c3cccs3)ccc2c(=O)c1-c1ccccc1Cl
Show InChI InChI=1S/C21H10ClF3O4S/c22-14-5-2-1-4-12(14)17-18(26)13-8-7-11(28-20(27)16-6-3-9-30-16)10-15(13)29-19(17)21(23,24)25/h1-10H
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PCBioAssay
n/an/a 1.70E+3n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2TB1590
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (human))
BDBM40416
PNG
(2-thiophenecarboxylic acid [3-(2-chlorophenyl)-4-o...)
Show SMILES FC(F)(F)c1oc2cc(OC(=O)c3cccs3)ccc2c(=O)c1-c1ccccc1Cl
Show InChI InChI=1S/C21H10ClF3O4S/c22-14-5-2-1-4-12(14)17-18(26)13-8-7-11(28-20(27)16-6-3-9-30-16)10-15(13)29-19(17)21(23,24)25/h1-10H
NCI pathway
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>6.67E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q22V2DH9
More data for this
Ligand-Target Pair