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BDBM37785 4-[(E)-[4,5-diketo-1-(3-morpholinopropyl)-2-(2-pyridyl)pyrrolidin-3-ylidene]-hydroxy-methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid methyl ester::4-[(E)-hydroxy-[1-[3-(4-morpholinyl)propyl]-4,5-dioxo-2-(2-pyridinyl)-3-pyrrolidinylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid methyl ester::MLS000049366::SMR000075274::cid_5739108::methyl 3,5-dimethyl-4-[(E)-[1-(3-morpholin-4-ylpropyl)-4,5-bis(oxidanylidene)-2-pyridin-2-yl-pyrrolidin-3-ylidene]-oxidanyl-methyl]-1H-pyrrole-2-carboxylate::methyl 4-[(E)-hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-pyridin-2-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate::methyl 4-{[4-hydroxy-1-[3-(4-morpholinyl)propyl]-5-oxo-2-(2-pyridinyl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

SMILES: COC(=O)c1[nH]c(C)c(C(=O)C2C(N(CCCN3CCOCC3)C(=O)C2=O)c2ccccn2)c1C

InChI Key: InChIKey=VJBPKVRNPFXGTG-UHFFFAOYSA-N

Data: 2 KI  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 37785   
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))
BDBM37785
PNG
(4-[(E)-[4,5-diketo-1-(3-morpholinopropyl)-2-(2-pyr...)
Show SMILES COC(=O)c1[nH]c(C)c(C(=O)C2C(N(CCCN3CCOCC3)C(=O)C2=O)c2ccccn2)c1C
Show InChI InChI=1S/C25H30N4O6/c1-15-18(16(2)27-20(15)25(33)34-3)22(30)19-21(17-7-4-5-8-26-17)29(24(32)23(19)31)10-6-9-28-11-13-35-14-12-28/h4-5,7-8,19,21,27H,6,9-14H2,1-3H3
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PC sid
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PCBioAssay
6.30E+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/Q2NZ862K
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM37785
PNG
(4-[(E)-[4,5-diketo-1-(3-morpholinopropyl)-2-(2-pyr...)
Show SMILES COC(=O)c1[nH]c(C)c(C(=O)C2C(N(CCCN3CCOCC3)C(=O)C2=O)c2ccccn2)c1C
Show InChI InChI=1S/C25H30N4O6/c1-15-18(16(2)27-20(15)25(33)34-3)22(30)19-21(17-7-4-5-8-26-17)29(24(32)23(19)31)10-6-9-28-11-13-35-14-12-28/h4-5,7-8,19,21,27H,6,9-14H2,1-3H3
PDB

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PC sid
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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/Q2DF6PMF
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM37785
PNG
(4-[(E)-[4,5-diketo-1-(3-morpholinopropyl)-2-(2-pyr...)
Show SMILES COC(=O)c1[nH]c(C)c(C(=O)C2C(N(CCCN3CCOCC3)C(=O)C2=O)c2ccccn2)c1C
Show InChI InChI=1S/C25H30N4O6/c1-15-18(16(2)27-20(15)25(33)34-3)22(30)19-21(17-7-4-5-8-26-17)29(24(32)23(19)31)10-6-9-28-11-13-35-14-12-28/h4-5,7-8,19,21,27H,6,9-14H2,1-3H3
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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/Q2DF6PMF
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37785
PNG
(4-[(E)-[4,5-diketo-1-(3-morpholinopropyl)-2-(2-pyr...)
Show SMILES COC(=O)c1[nH]c(C)c(C(=O)C2C(N(CCCN3CCOCC3)C(=O)C2=O)c2ccccn2)c1C
Show InChI InChI=1S/C25H30N4O6/c1-15-18(16(2)27-20(15)25(33)34-3)22(30)19-21(17-7-4-5-8-26-17)29(24(32)23(19)31)10-6-9-28-11-13-35-14-12-28/h4-5,7-8,19,21,27H,6,9-14H2,1-3H3
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n/an/a 9.70E+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/Q2J67FB5
More data for this
Ligand-Target Pair