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BDBM40414 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-(4-morpholinylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one::3-(3,4-dimethoxyphenyl)-7-hydroxy-8-(morpholin-4-ylmethyl)-2-(trifluoromethyl)chromen-4-one::3-(3,4-dimethoxyphenyl)-7-hydroxy-8-(morpholinomethyl)-2-(trifluoromethyl)chromone::3-(3,4-dimethoxyphenyl)-8-(morpholin-4-ylmethyl)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one::UNM000003540001::cid_5449443

SMILES: COc1ccc(cc1OC)-c1c(oc2c(CN3CCOCC3)c(O)ccc2c1=O)C(F)(F)F

InChI Key: InChIKey=XCTNASMWSIZMHI-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 = 40414   
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))
BDBM40414
PNG
(3-(3,4-dimethoxyphenyl)-7-hydroxy-8-(4-morpholinyl...)
Show SMILES COc1ccc(cc1OC)-c1c(oc2c(CN3CCOCC3)c(O)ccc2c1=O)C(F)(F)F
Show InChI InChI=1S/C23H22F3NO6/c1-30-17-6-3-13(11-18(17)31-2)19-20(29)14-4-5-16(28)15(12-27-7-9-32-10-8-27)21(14)33-22(19)23(24,25)26/h3-6,11,28H,7-10,12H2,1-2H3
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PC sid
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Similars

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))
BDBM40414
PNG
(3-(3,4-dimethoxyphenyl)-7-hydroxy-8-(4-morpholinyl...)
Show SMILES COc1ccc(cc1OC)-c1c(oc2c(CN3CCOCC3)c(O)ccc2c1=O)C(F)(F)F
Show InChI InChI=1S/C23H22F3NO6/c1-30-17-6-3-13(11-18(17)31-2)19-20(29)14-4-5-16(28)15(12-27-7-9-32-10-8-27)21(14)33-22(19)23(24,25)26/h3-6,11,28H,7-10,12H2,1-2H3
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PC cid
PC sid
UniChem

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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))
BDBM40414
PNG
(3-(3,4-dimethoxyphenyl)-7-hydroxy-8-(4-morpholinyl...)
Show SMILES COc1ccc(cc1OC)-c1c(oc2c(CN3CCOCC3)c(O)ccc2c1=O)C(F)(F)F
Show InChI InChI=1S/C23H22F3NO6/c1-30-17-6-3-13(11-18(17)31-2)19-20(29)14-4-5-16(28)15(12-27-7-9-32-10-8-27)21(14)33-22(19)23(24,25)26/h3-6,11,28H,7-10,12H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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PC cid
PC sid
UniChem

Similars

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