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BDBM50746 5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-oxidanylidene-3-pyrrolidin-1-yl-propyl]-4-phenyl-chromen-2-one::5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-oxo-3-(1-pyrrolidinyl)propyl]-4-phenyl-1-benzopyran-2-one::5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropyl]-4-phenylchromen-2-one::8-[3-keto-1-(4-methoxyphenyl)-3-pyrrolidino-propyl]-5,7-dimethoxy-4-phenyl-coumarin::MLS000879470::SMR000465530::cid_16746438

SMILES: COc1ccc(cc1)C(CC(=O)N1CCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1

InChI Key: InChIKey=PROGRNRRJJYCNX-UHFFFAOYSA-N

Data: 2 KI  5 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 7 hits for monomerid = 50746   
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
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50746
PNG
(5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-oxidanylide...)
Show SMILES COc1ccc(cc1)C(CC(=O)N1CCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C31H31NO6/c1-35-22-13-11-21(12-14-22)23(17-27(33)32-15-7-8-16-32)29-25(36-2)19-26(37-3)30-24(18-28(34)38-31(29)30)20-9-5-4-6-10-20/h4-6,9-14,18-19,23H,7-8,15-17H2,1-3H3
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350n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Inhibition of ELAV1 (unknown origin)-ARE sequence of Mushashi1 transcript complex formation after 2 hrs by fluorescence polarization assay


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50746
PNG
(5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-oxidanylide...)
Show SMILES COc1ccc(cc1)C(CC(=O)N1CCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C31H31NO6/c1-35-22-13-11-21(12-14-22)23(17-27(33)32-15-7-8-16-32)29-25(36-2)19-26(37-3)30-24(18-28(34)38-31(29)30)20-9-5-4-6-10-20/h4-6,9-14,18-19,23H,7-8,15-17H2,1-3H3
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3.40E+3n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Inhibition of ELAV1 RRM1/RRM2 domains (unknown origin) interaction with ARE sequence of Mushashi1 transcript after 2 hrs by AlphaLISA method


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
More data for this
Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens (Human))
BDBM50746
PNG
(5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-oxidanylide...)
Show SMILES COc1ccc(cc1)C(CC(=O)N1CCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C31H31NO6/c1-35-22-13-11-21(12-14-22)23(17-27(33)32-15-7-8-16-32)29-25(36-2)19-26(37-3)30-24(18-28(34)38-31(29)30)20-9-5-4-6-10-20/h4-6,9-14,18-19,23H,7-8,15-17H2,1-3H3
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PCBioAssay
n/an/a 9.82E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50746
PNG
(5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-oxidanylide...)
Show SMILES COc1ccc(cc1)C(CC(=O)N1CCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C31H31NO6/c1-35-22-13-11-21(12-14-22)23(17-27(33)32-15-7-8-16-32)29-25(36-2)19-26(37-3)30-24(18-28(34)38-31(29)30)20-9-5-4-6-10-20/h4-6,9-14,18-19,23H,7-8,15-17H2,1-3H3
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n/an/a 8.20E+3n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Inhibition of ELAV1 RRM1/RRM2 domains (unknown origin) interaction with ARE sequence of Mushashi1 transcript after 2 hrs by AlphaLISA method


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50746
PNG
(5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-oxidanylide...)
Show SMILES COc1ccc(cc1)C(CC(=O)N1CCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C31H31NO6/c1-35-22-13-11-21(12-14-22)23(17-27(33)32-15-7-8-16-32)29-25(36-2)19-26(37-3)30-24(18-28(34)38-31(29)30)20-9-5-4-6-10-20/h4-6,9-14,18-19,23H,7-8,15-17H2,1-3H3
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n/an/a 4.62E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
BZLF2


(Human herpesvirus 4 type 2)
BDBM50746
PNG
(5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-oxidanylide...)
Show SMILES COc1ccc(cc1)C(CC(=O)N1CCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C31H31NO6/c1-35-22-13-11-21(12-14-22)23(17-27(33)32-15-7-8-16-32)29-25(36-2)19-26(37-3)30-24(18-28(34)38-31(29)30)20-9-5-4-6-10-20/h4-6,9-14,18-19,23H,7-8,15-17H2,1-3H3
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n/an/a 4.32E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50746
PNG
(5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-oxidanylide...)
Show SMILES COc1ccc(cc1)C(CC(=O)N1CCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C31H31NO6/c1-35-22-13-11-21(12-14-22)23(17-27(33)32-15-7-8-16-32)29-25(36-2)19-26(37-3)30-24(18-28(34)38-31(29)30)20-9-5-4-6-10-20/h4-6,9-14,18-19,23H,7-8,15-17H2,1-3H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Inhibition of ELAV1 (unknown origin)-ARE sequence of Mushashi1 transcript complex formation after 2 hrs by fluorescence polarization assay


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
More data for this
Ligand-Target Pair