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BDBM40714 2-(2-furanyl)-4-quinolinecarboxylic acid [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] ester::2-(2-furyl)cinchoninic acid [2-keto-2-(o-anisylamino)ethyl] ester::MLS000565742::SMR000152918::[2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(furan-2-yl)quinoline-4-carboxylate::[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate::cid_2092254

SMILES: COc1ccccc1CNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1

InChI Key: InChIKey=LHUVKNSYJXRVJA-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 40714   
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
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM40714
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[(2-me...)
Show SMILES COc1ccccc1CNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C24H20N2O5/c1-29-21-10-5-2-7-16(21)14-25-23(27)15-31-24(28)18-13-20(22-11-6-12-30-22)26-19-9-4-3-8-17(18)19/h2-13H,14-15H2,1H3,(H,25,27)
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n/an/a 1.48E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens (Human))
BDBM40714
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[(2-me...)
Show SMILES COc1ccccc1CNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C24H20N2O5/c1-29-21-10-5-2-7-16(21)14-25-23(27)15-31-24(28)18-13-20(22-11-6-12-30-22)26-19-9-4-3-8-17(18)19/h2-13H,14-15H2,1H3,(H,25,27)
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n/an/a 1.07E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM40714
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[(2-me...)
Show SMILES COc1ccccc1CNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C24H20N2O5/c1-29-21-10-5-2-7-16(21)14-25-23(27)15-31-24(28)18-13-20(22-11-6-12-30-22)26-19-9-4-3-8-17(18)19/h2-13H,14-15H2,1H3,(H,25,27)
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n/an/a 2.04E+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
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM40714
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[(2-me...)
Show SMILES COc1ccccc1CNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C24H20N2O5/c1-29-21-10-5-2-7-16(21)14-25-23(27)15-31-24(28)18-13-20(22-11-6-12-30-22)26-19-9-4-3-8-17(18)19/h2-13H,14-15H2,1H3,(H,25,27)
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n/an/a 5.79E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM40714
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[(2-me...)
Show SMILES COc1ccccc1CNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C24H20N2O5/c1-29-21-10-5-2-7-16(21)14-25-23(27)15-31-24(28)18-13-20(22-11-6-12-30-22)26-19-9-4-3-8-17(18)19/h2-13H,14-15H2,1H3,(H,25,27)
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n/an/a 7.11E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2NC5ZRN
More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM40714
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[(2-me...)
Show SMILES COc1ccccc1CNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C24H20N2O5/c1-29-21-10-5-2-7-16(21)14-25-23(27)15-31-24(28)18-13-20(22-11-6-12-30-22)26-19-9-4-3-8-17(18)19/h2-13H,14-15H2,1H3,(H,25,27)
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n/an/a>4.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29Z939R
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens (Human))
BDBM40714
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[(2-me...)
Show SMILES COc1ccccc1CNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C24H20N2O5/c1-29-21-10-5-2-7-16(21)14-25-23(27)15-31-24(28)18-13-20(22-11-6-12-30-22)26-19-9-4-3-8-17(18)19/h2-13H,14-15H2,1H3,(H,25,27)
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n/an/a 1.06E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2BP0175
More data for this
Ligand-Target Pair
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM40714
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[(2-me...)
Show SMILES COc1ccccc1CNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C24H20N2O5/c1-29-21-10-5-2-7-16(21)14-25-23(27)15-31-24(28)18-13-20(22-11-6-12-30-22)26-19-9-4-3-8-17(18)19/h2-13H,14-15H2,1H3,(H,25,27)
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n/an/a 2.27E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q21V5CDC
More data for this
Ligand-Target Pair
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM40714
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[(2-me...)
Show SMILES COc1ccccc1CNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C24H20N2O5/c1-29-21-10-5-2-7-16(21)14-25-23(27)15-31-24(28)18-13-20(22-11-6-12-30-22)26-19-9-4-3-8-17(18)19/h2-13H,14-15H2,1H3,(H,25,27)
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n/an/a 7.83E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2668BMS
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2I


(Homo sapiens (Human))
BDBM40714
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[(2-me...)
Show SMILES COc1ccccc1CNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C24H20N2O5/c1-29-21-10-5-2-7-16(21)14-25-23(27)15-31-24(28)18-13-20(22-11-6-12-30-22)26-19-9-4-3-8-17(18)19/h2-13H,14-15H2,1H3,(H,25,27)
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n/an/a 5.42E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2V986G8
More data for this
Ligand-Target Pair