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SMILES: FC(F)(F)c1oc2cc(OC(=O)c3cccs3)ccc2c(=O)c1-c1ccccc1Cl

InChI Key: InChIKey=FKBCBZZXFOGQEF-UHFFFAOYSA-N

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 4 hits for monomerid = 40416   
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
fMet-Leu-Phe receptor


(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 |(4.41,2.51,;5.75,1.74,;6.52,3.08,;4.98,.41,;7.08,.97,;8.41,1.74,;9.75,.97,;11.13,1.8,;12.52,1,;13.85,1.78,;15.19,1.01,;15.19,-.53,;16.52,1.79,;17.93,1.17,;18.95,2.32,;18.18,3.65,;16.67,3.32,;12.52,-.6,;11.13,-1.39,;9.75,-.57,;8.41,-1.34,;8.41,-2.88,;7.08,-.57,;5.75,-1.34,;4.41,-.57,;3.08,-1.34,;3.08,-2.88,;4.41,-3.65,;5.75,-2.88,;7.08,-3.65,)|
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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PC cid
PC sid
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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
N-formyl peptide receptor 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 |(4.41,2.51,;5.75,1.74,;6.52,3.08,;4.98,.41,;7.08,.97,;8.41,1.74,;9.75,.97,;11.13,1.8,;12.52,1,;13.85,1.78,;15.19,1.01,;15.19,-.53,;16.52,1.79,;17.93,1.17,;18.95,2.32,;18.18,3.65,;16.67,3.32,;12.52,-.6,;11.13,-1.39,;9.75,-.57,;8.41,-1.34,;8.41,-2.88,;7.08,-.57,;5.75,-1.34,;4.41,-.57,;3.08,-1.34,;3.08,-2.88,;4.41,-3.65,;5.75,-2.88,;7.08,-3.65,)|
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
PDB

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PC cid
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>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


(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 |(4.41,2.51,;5.75,1.74,;6.52,3.08,;4.98,.41,;7.08,.97,;8.41,1.74,;9.75,.97,;11.13,1.8,;12.52,1,;13.85,1.78,;15.19,1.01,;15.19,-.53,;16.52,1.79,;17.93,1.17,;18.95,2.32,;18.18,3.65,;16.67,3.32,;12.52,-.6,;11.13,-1.39,;9.75,-.57,;8.41,-1.34,;8.41,-2.88,;7.08,-.57,;5.75,-1.34,;4.41,-.57,;3.08,-1.34,;3.08,-2.88,;4.41,-3.65,;5.75,-2.88,;7.08,-3.65,)|
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
PDB

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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
N-formyl peptide receptor 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 |(4.41,2.51,;5.75,1.74,;6.52,3.08,;4.98,.41,;7.08,.97,;8.41,1.74,;9.75,.97,;11.13,1.8,;12.52,1,;13.85,1.78,;15.19,1.01,;15.19,-.53,;16.52,1.79,;17.93,1.17,;18.95,2.32,;18.18,3.65,;16.67,3.32,;12.52,-.6,;11.13,-1.39,;9.75,-.57,;8.41,-1.34,;8.41,-2.88,;7.08,-.57,;5.75,-1.34,;4.41,-.57,;3.08,-1.34,;3.08,-2.88,;4.41,-3.65,;5.75,-2.88,;7.08,-3.65,)|
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
PDB

NCI pathway
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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