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BDBM51503 2-[8-(diethylaminomethyl)-7-hydroxy-2-keto-4-methyl-chromen-3-yl]acetic acid methyl ester;hydrochloride::2-[8-(diethylaminomethyl)-7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl]acetic acid methyl ester;hydrochloride::MLS000081528::SMR000043423::cid_6603244::methyl 2-[8-(diethylaminomethyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl]ethanoate;hydrochloride::methyl 2-[8-(diethylaminomethyl)-7-hydroxy-4-methyl-2-oxochromen-3-yl]acetate;hydrochloride

SMILES: CCN(CC)Cc1c(O)ccc2c(C)c(CC(=O)OC)c(=O)oc12

InChI Key: InChIKey=UEVBZABNKFGAJA-UHFFFAOYSA-N

Data: 4 IC50  1 EC50

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 5 hits for monomerid = 51503   
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
dTDP-4-dehydrorhamnose 3,5-epimerase RmlC


(Mycobacterium tuberculosis H37Rv)
BDBM51503
PNG
(2-[8-(diethylaminomethyl)-7-hydroxy-2-keto-4-methy...)
Show SMILES CCN(CC)Cc1c(O)ccc2c(C)c(CC(=O)OC)c(=O)oc12
Show InChI InChI=1S/C18H23NO5/c1-5-19(6-2)10-14-15(20)8-7-12-11(3)13(9-16(21)23-4)18(22)24-17(12)14/h7-8,20H,5-6,9-10H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 555n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TD9VRT
More data for this
Ligand-Target Pair
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM51503
PNG
(2-[8-(diethylaminomethyl)-7-hydroxy-2-keto-4-methy...)
Show SMILES CCN(CC)Cc1c(O)ccc2c(C)c(CC(=O)OC)c(=O)oc12
Show InChI InChI=1S/C18H23NO5/c1-5-19(6-2)10-14-15(20)8-7-12-11(3)13(9-16(21)23-4)18(22)24-17(12)14/h7-8,20H,5-6,9-10H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
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UniChem

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PCBioAssay
n/an/a 4.04E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b


(Homo sapiens (Human))
BDBM51503
PNG
(2-[8-(diethylaminomethyl)-7-hydroxy-2-keto-4-methy...)
Show SMILES CCN(CC)Cc1c(O)ccc2c(C)c(CC(=O)OC)c(=O)oc12
Show InChI InChI=1S/C18H23NO5/c1-5-19(6-2)10-14-15(20)8-7-12-11(3)13(9-16(21)23-4)18(22)24-17(12)14/h7-8,20H,5-6,9-10H2,1-4H3
PDB
MMDB

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antibodypedia
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n/an/an/an/a 1.36E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q280513R
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4H


(Homo sapiens (Human))
BDBM51503
PNG
(2-[8-(diethylaminomethyl)-7-hydroxy-2-keto-4-methy...)
Show SMILES CCN(CC)Cc1c(O)ccc2c(C)c(CC(=O)OC)c(=O)oc12
Show InChI InChI=1S/C18H23NO5/c1-5-19(6-2)10-14-15(20)8-7-12-11(3)13(9-16(21)23-4)18(22)24-17(12)14/h7-8,20H,5-6,9-10H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PCBioAssay
n/an/a 1.00E+5n/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 (2009)


BindingDB Entry DOI: 10.7270/Q26W98HW
More data for this
Ligand-Target Pair
poly(A) binding protein, cytoplasmic 1


(Homo sapiens (Human))
BDBM51503
PNG
(2-[8-(diethylaminomethyl)-7-hydroxy-2-keto-4-methy...)
Show SMILES CCN(CC)Cc1c(O)ccc2c(C)c(CC(=O)OC)c(=O)oc12
Show InChI InChI=1S/C18H23NO5/c1-5-19(6-2)10-14-15(20)8-7-12-11(3)13(9-16(21)23-4)18(22)24-17(12)14/h7-8,20H,5-6,9-10H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.00E+5n/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 (2009)


BindingDB Entry DOI: 10.7270/Q2ZC819K
More data for this
Ligand-Target Pair