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BDBM40409 (4E)-1-(3-chloranyl-4-methyl-phenyl)-5-(2,5-dimethoxyphenyl)-4-[oxidanyl(phenyl)methylidene]pyrrolidine-2,3-dione::(4E)-1-(3-chloro-4-methyl-phenyl)-5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)methylene]pyrrolidine-2,3-quinone::(4E)-1-(3-chloro-4-methylphenyl)-5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione::UNM000003537801::cid_5919212

SMILES: COc1ccc(OC)c(c1)C1C(C(=O)c2ccccc2)C(=O)C(=O)N1c1ccc(C)c(Cl)c1

InChI Key: InChIKey=RMASXJCYPJEBKS-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 = 40409   
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))
BDBM40409
PNG
((4E)-1-(3-chloranyl-4-methyl-phenyl)-5-(2,5-dimeth...)
Show SMILES COc1ccc(OC)c(c1)C1C(C(=O)c2ccccc2)C(=O)C(=O)N1c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C26H22ClNO5/c1-15-9-10-17(13-20(15)27)28-23(19-14-18(32-2)11-12-21(19)33-3)22(25(30)26(28)31)24(29)16-7-5-4-6-8-16/h4-14,22-23H,1-3H3
PDB

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PC cid
PC sid
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PCBioAssay
1.68E+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))
BDBM40409
PNG
((4E)-1-(3-chloranyl-4-methyl-phenyl)-5-(2,5-dimeth...)
Show SMILES COc1ccc(OC)c(c1)C1C(C(=O)c2ccccc2)C(=O)C(=O)N1c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C26H22ClNO5/c1-15-9-10-17(13-20(15)27)28-23(19-14-18(32-2)11-12-21(19)33-3)22(25(30)26(28)31)24(29)16-7-5-4-6-8-16/h4-14,22-23H,1-3H3
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))
BDBM40409
PNG
((4E)-1-(3-chloranyl-4-methyl-phenyl)-5-(2,5-dimeth...)
Show SMILES COc1ccc(OC)c(c1)C1C(C(=O)c2ccccc2)C(=O)C(=O)N1c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C26H22ClNO5/c1-15-9-10-17(13-20(15)27)28-23(19-14-18(32-2)11-12-21(19)33-3)22(25(30)26(28)31)24(29)16-7-5-4-6-8-16/h4-14,22-23H,1-3H3
PDB

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n/an/a 2.57E+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))
BDBM40409
PNG
((4E)-1-(3-chloranyl-4-methyl-phenyl)-5-(2,5-dimeth...)
Show SMILES COc1ccc(OC)c(c1)C1C(C(=O)c2ccccc2)C(=O)C(=O)N1c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C26H22ClNO5/c1-15-9-10-17(13-20(15)27)28-23(19-14-18(32-2)11-12-21(19)33-3)22(25(30)26(28)31)24(29)16-7-5-4-6-8-16/h4-14,22-23H,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

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antibodypedia
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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