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BDBM40417 2-thiophenecarboxylic acid [3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester::UNM000003547201::[3-(2-bromanylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate::[3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate::cid_1591032::thiophene-2-carboxylic acid [3-(2-bromophenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester

SMILES: FC(F)(F)c1oc2cc(OC(=O)c3cccs3)ccc2c(=O)c1Oc1ccccc1Br

InChI Key: InChIKey=PKJMNDVBALACTJ-UHFFFAOYSA-N

Data: 2 KI  1 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 3 hits for monomerid = 40417   
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
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM40417
PNG
(2-thiophenecarboxylic acid [3-(2-bromophenoxy)-4-o...)
Show SMILES FC(F)(F)c1oc2cc(OC(=O)c3cccs3)ccc2c(=O)c1Oc1ccccc1Br
Show InChI InChI=1S/C21H10BrF3O5S/c22-13-4-1-2-5-14(13)29-18-17(26)12-8-7-11(28-20(27)16-6-3-9-31-16)10-15(12)30-19(18)21(23,24)25/h1-10H
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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PC cid
PC sid
UniChem
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


(Homo sapiens (Human))
BDBM40417
PNG
(2-thiophenecarboxylic acid [3-(2-bromophenoxy)-4-o...)
Show SMILES FC(F)(F)c1oc2cc(OC(=O)c3cccs3)ccc2c(=O)c1Oc1ccccc1Br
Show InChI InChI=1S/C21H10BrF3O5S/c22-13-4-1-2-5-14(13)29-18-17(26)12-8-7-11(28-20(27)16-6-3-9-31-16)10-15(12)30-19(18)21(23,24)25/h1-10H
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
>4.43E+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/Q2Z31X1B
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM40417
PNG
(2-thiophenecarboxylic acid [3-(2-bromophenoxy)-4-o...)
Show SMILES FC(F)(F)c1oc2cc(OC(=O)c3cccs3)ccc2c(=O)c1Oc1ccccc1Br
Show InChI InChI=1S/C21H10BrF3O5S/c22-13-4-1-2-5-14(13)29-18-17(26)12-8-7-11(28-20(27)16-6-3-9-31-16)10-15(12)30-19(18)21(23,24)25/h1-10H
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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