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BDBM40412 3-pyridinecarboxylic acid [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester::UNM000003539301::[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] pyridine-3-carboxylate::[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] pyridine-3-carboxylate::cid_1181136::nicotinic acid [3-(3,4-dimethoxyphenyl)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester

SMILES: COc1ccc(cc1OC)-c1c(oc2cc(OC(=O)c3cccnc3)ccc2c1=O)C(F)(F)F

InChI Key: InChIKey=HEJBUTYETGXHEA-UHFFFAOYSA-N

Data: 2 KI  2 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 4 hits for monomerid = 40412   
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))
BDBM40412
PNG
(3-pyridinecarboxylic acid [3-(3,4-dimethoxyphenyl)...)
Show SMILES COc1ccc(cc1OC)-c1c(oc2cc(OC(=O)c3cccnc3)ccc2c1=O)C(F)(F)F
Show InChI InChI=1S/C24H16F3NO6/c1-31-17-8-5-13(10-19(17)32-2)20-21(29)16-7-6-15(11-18(16)34-22(20)24(25,26)27)33-23(30)14-4-3-9-28-12-14/h3-12H,1-2H3
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PC sid
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PCBioAssay
8.90E+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))
BDBM40412
PNG
(3-pyridinecarboxylic acid [3-(3,4-dimethoxyphenyl)...)
Show SMILES COc1ccc(cc1OC)-c1c(oc2cc(OC(=O)c3cccnc3)ccc2c1=O)C(F)(F)F
Show InChI InChI=1S/C24H16F3NO6/c1-31-17-8-5-13(10-19(17)32-2)20-21(29)16-7-6-15(11-18(16)34-22(20)24(25,26)27)33-23(30)14-4-3-9-28-12-14/h3-12H,1-2H3
PDB

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antibodypedia
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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


(Homo sapiens (Human))
BDBM40412
PNG
(3-pyridinecarboxylic acid [3-(3,4-dimethoxyphenyl)...)
Show SMILES COc1ccc(cc1OC)-c1c(oc2cc(OC(=O)c3cccnc3)ccc2c1=O)C(F)(F)F
Show InChI InChI=1S/C24H16F3NO6/c1-31-17-8-5-13(10-19(17)32-2)20-21(29)16-7-6-15(11-18(16)34-22(20)24(25,26)27)33-23(30)14-4-3-9-28-12-14/h3-12H,1-2H3
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PCBioAssay
n/an/a 1.36E+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/Q2TB1590
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM40412
PNG
(3-pyridinecarboxylic acid [3-(3,4-dimethoxyphenyl)...)
Show SMILES COc1ccc(cc1OC)-c1c(oc2cc(OC(=O)c3cccnc3)ccc2c1=O)C(F)(F)F
Show InChI InChI=1S/C24H16F3NO6/c1-31-17-8-5-13(10-19(17)32-2)20-21(29)16-7-6-15(11-18(16)34-22(20)24(25,26)27)33-23(30)14-4-3-9-28-12-14/h3-12H,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