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BDBM50183472 5-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one::CHEMBL381077::cid_2909444

SMILES: COc1ccc(C2C(C(=O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1

InChI Key: InChIKey=TYPCDWZKHSXFOG-UHFFFAOYSA-N

Data: 2 KI  4 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 6 hits for monomerid = 50183472   
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))
BDBM50183472
PNG
(5-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-hyd...)
Show SMILES COc1ccc(C2C(C(=O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1
Show InChI InChI=1S/C23H26N2O7/c1-29-15-5-6-16(18(14-15)30-2)20-19(21(26)17-4-3-11-32-17)22(27)23(28)25(20)8-7-24-9-12-31-13-10-24/h3-6,11,14,19-20H,7-10,12-13H2,1-2H3
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PCBioAssay
6.40E+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))
BDBM50183472
PNG
(5-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-hyd...)
Show SMILES COc1ccc(C2C(C(=O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1
Show InChI InChI=1S/C23H26N2O7/c1-29-15-5-6-16(18(14-15)30-2)20-19(21(26)17-4-3-11-32-17)22(27)23(28)25(20)8-7-24-9-12-31-13-10-24/h3-6,11,14,19-20H,7-10,12-13H2,1-2H3
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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
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50183472
PNG
(5-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-hyd...)
Show SMILES COc1ccc(C2C(C(=O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1
Show InChI InChI=1S/C23H26N2O7/c1-29-15-5-6-16(18(14-15)30-2)20-19(21(26)17-4-3-11-32-17)22(27)23(28)25(20)8-7-24-9-12-31-13-10-24/h3-6,11,14,19-20H,7-10,12-13H2,1-2H3
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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
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50183472
PNG
(5-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-hyd...)
Show SMILES COc1ccc(C2C(C(=O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1
Show InChI InChI=1S/C23H26N2O7/c1-29-15-5-6-16(18(14-15)30-2)20-19(21(26)17-4-3-11-32-17)22(27)23(28)25(20)8-7-24-9-12-31-13-10-24/h3-6,11,14,19-20H,7-10,12-13H2,1-2H3
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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing activity of HIV1 integrase


J Med Chem 49: 1684-92 (2006)


Article DOI: 10.1021/jm0510629
BindingDB Entry DOI: 10.7270/Q2V987NX
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50183472
PNG
(5-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-hyd...)
Show SMILES COc1ccc(C2C(C(=O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1
Show InChI InChI=1S/C23H26N2O7/c1-29-15-5-6-16(18(14-15)30-2)20-19(21(26)17-4-3-11-32-17)22(27)23(28)25(20)8-7-24-9-12-31-13-10-24/h3-6,11,14,19-20H,7-10,12-13H2,1-2H3
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PCBioAssay
n/an/a 9.80E+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
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50183472
PNG
(5-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-hyd...)
Show SMILES COc1ccc(C2C(C(=O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1
Show InChI InChI=1S/C23H26N2O7/c1-29-15-5-6-16(18(14-15)30-2)20-19(21(26)17-4-3-11-32-17)22(27)23(28)25(20)8-7-24-9-12-31-13-10-24/h3-6,11,14,19-20H,7-10,12-13H2,1-2H3
PDB
MMDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.95E+5n/an/an/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV1 integrase


J Med Chem 49: 1684-92 (2006)


Article DOI: 10.1021/jm0510629
BindingDB Entry DOI: 10.7270/Q2V987NX
More data for this
Ligand-Target Pair