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5 similar compounds to monomer 40409

Compile data set for download or QSAR
Wt: 449.8
BDBM40408
Wt: 416.4
BDBM40411
Wt: 407.5
BDBM105527
Wt: 407.5
BDBM105534
Wt: 421.5
BDBM105536

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 40408,40411,105527,105534,105536   
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 1/2


(Homo sapiens)
BDBM40411
PNG
((4E)-5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)met...)
Show SMILES COc1ccc(OC)c(c1)C1C(C(=O)c2ccccc2)C(=O)C(=O)N1c1cccnc1
Show InChI InChI=1S/C24H20N2O5/c1-30-17-10-11-19(31-2)18(13-17)21-20(22(27)15-7-4-3-5-8-15)23(28)24(29)26(21)16-9-6-12-25-14-16/h3-14,20-21H,1-2H3
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6.00E+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
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM40408
PNG
((4E)-1-(3-chlorophenyl)-5-(2,4-dimethoxyphenyl)-4-...)
Show SMILES COc1ccc(C2C(C(=O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)c(OC)c1
Show InChI InChI=1S/C25H20ClNO5/c1-31-18-11-12-19(20(14-18)32-2)22-21(23(28)15-7-4-3-5-8-15)24(29)25(30)27(22)17-10-6-9-16(26)13-17/h3-14,21-22H,1-2H3
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3.11E+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
fMet-Leu-Phe receptor 1/2


(Homo sapiens (human))
BDBM40411
PNG
((4E)-5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)met...)
Show SMILES COc1ccc(OC)c(c1)C1C(C(=O)c2ccccc2)C(=O)C(=O)N1c1cccnc1
Show InChI InChI=1S/C24H20N2O5/c1-30-17-10-11-19(31-2)18(13-17)21-20(22(27)15-7-4-3-5-8-15)23(28)24(29)26(21)16-9-6-12-25-14-16/h3-14,20-21H,1-2H3
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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 1/2


(Homo sapiens (human))
BDBM40408
PNG
((4E)-1-(3-chlorophenyl)-5-(2,4-dimethoxyphenyl)-4-...)
Show SMILES COc1ccc(C2C(C(=O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)c(OC)c1
Show InChI InChI=1S/C25H20ClNO5/c1-31-18-11-12-19(20(14-18)32-2)22-21(23(28)15-7-4-3-5-8-15)24(29)25(30)27(22)17-10-6-9-16(26)13-17/h3-14,21-22H,1-2H3
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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 1/2


(Homo sapiens)
BDBM40411
PNG
((4E)-5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)met...)
Show SMILES COc1ccc(OC)c(c1)C1C(C(=O)c2ccccc2)C(=O)C(=O)N1c1cccnc1
Show InChI InChI=1S/C24H20N2O5/c1-30-17-10-11-19(31-2)18(13-17)21-20(22(27)15-7-4-3-5-8-15)23(28)24(29)26(21)16-9-6-12-25-14-16/h3-14,20-21H,1-2H3
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n/an/a 9.20E+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
P2X purinoceptor 3


(Homo sapiens (human))
BDBM105527
PNG
(US8575197, I-037)
Show SMILES COc1ccccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(cc1)C(C)C
Show InChI InChI=1S/C25H29NO4/c1-15(2)16-11-13-17(14-12-16)26-21(18-9-7-8-10-19(18)30-6)20(22(27)24(26)29)23(28)25(3,4)5/h7-15,20-21H,1-6H3
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US Patent
n/an/a 954n/an/an/an/an/an/a



Shionogi & Co., Ltd.

US Patent


Assay Description
Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).


US Patent US8575197 (2013)


BindingDB Entry DOI: 10.7270/Q2CN72KP
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM105534
PNG
(US8575197, I-044)
Show SMILES CCCc1ccc(cc1)N1C(C(C(=O)C(C)(C)C)C(=O)C1=O)c1ccccc1OC
Show InChI InChI=1S/C25H29NO4/c1-6-9-16-12-14-17(15-13-16)26-21(18-10-7-8-11-19(18)30-5)20(22(27)24(26)29)23(28)25(2,3)4/h7-8,10-15,20-21H,6,9H2,1-5H3
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US Patent
n/an/a 468n/an/an/an/an/an/a



Shionogi & Co., Ltd.

US Patent


Assay Description
Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).


US Patent US8575197 (2013)


BindingDB Entry DOI: 10.7270/Q2CN72KP
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM40408
PNG
((4E)-1-(3-chlorophenyl)-5-(2,4-dimethoxyphenyl)-4-...)
Show SMILES COc1ccc(C2C(C(=O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)c(OC)c1
Show InChI InChI=1S/C25H20ClNO5/c1-31-18-11-12-19(20(14-18)32-2)22-21(23(28)15-7-4-3-5-8-15)24(29)25(30)27(22)17-10-6-9-16(26)13-17/h3-14,21-22H,1-2H3
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n/an/a 4.75E+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
fMet-Leu-Phe receptor 1/2


(Homo sapiens (human))
BDBM40411
PNG
((4E)-5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)met...)
Show SMILES COc1ccc(OC)c(c1)C1C(C(=O)c2ccccc2)C(=O)C(=O)N1c1cccnc1
Show InChI InChI=1S/C24H20N2O5/c1-30-17-10-11-19(31-2)18(13-17)21-20(22(27)15-7-4-3-5-8-15)23(28)24(29)26(21)16-9-6-12-25-14-16/h3-14,20-21H,1-2H3
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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
fMet-Leu-Phe receptor 1/2


(Homo sapiens (human))
BDBM40408
PNG
((4E)-1-(3-chlorophenyl)-5-(2,4-dimethoxyphenyl)-4-...)
Show SMILES COc1ccc(C2C(C(=O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)c(OC)c1
Show InChI InChI=1S/C25H20ClNO5/c1-31-18-11-12-19(20(14-18)32-2)22-21(23(28)15-7-4-3-5-8-15)24(29)25(30)27(22)17-10-6-9-16(26)13-17/h3-14,21-22H,1-2H3
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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
P2X purinoceptor 3


(Homo sapiens (human))
BDBM105536
PNG
(US8575197, I-046)
Show SMILES COc1ccccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C26H31NO4/c1-25(2,3)16-12-14-17(15-13-16)27-21(18-10-8-9-11-19(18)31-7)20(22(28)24(27)30)23(29)26(4,5)6/h8-15,20-21H,1-7H3
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US Patent
n/an/a 580n/an/an/an/an/an/a



Shionogi & Co., Ltd.

US Patent


Assay Description
Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).


US Patent US8575197 (2013)


BindingDB Entry DOI: 10.7270/Q2CN72KP
More data for this
Ligand-Target Pair