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BDBM35379 2-(2-furanyl)-4-quinolinecarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester::2-(2-furyl)cinchoninic acid [2-(6-amino-1-isobutyl-2,4-diketo-3-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester::MLS000058168::SMR000063262::[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate::[2-[4-azanyl-1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 2-(furan-2-yl)quinoline-4-carboxylate::cid_2094474

SMILES: CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O

InChI Key: InChIKey=ABFGKTKVMVRAGW-UHFFFAOYSA-N

Data: 16 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 16 hits for monomerid = 35379   
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
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35379
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[4-ami...)
Show SMILES CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O
Show InChI InChI=1S/C25H24N4O6/c1-14(2)12-29-22(26)21(23(31)28(3)25(29)33)19(30)13-35-24(32)16-11-18(20-9-6-10-34-20)27-17-8-5-4-7-15(16)17/h4-11,14H,12-13,26H2,1-3H3
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n/an/a 2.31E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


Citation and Details
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM35379
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[4-ami...)
Show SMILES CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O
Show InChI InChI=1S/C25H24N4O6/c1-14(2)12-29-22(26)21(23(31)28(3)25(29)33)19(30)13-35-24(32)16-11-18(20-9-6-10-34-20)27-17-8-5-4-7-15(16)17/h4-11,14H,12-13,26H2,1-3H3
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n/an/a 5.27E+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 (2008)

More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35379
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[4-ami...)
Show SMILES CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O
Show InChI InChI=1S/C25H24N4O6/c1-14(2)12-29-22(26)21(23(31)28(3)25(29)33)19(30)13-35-24(32)16-11-18(20-9-6-10-34-20)27-17-8-5-4-7-15(16)17/h4-11,14H,12-13,26H2,1-3H3
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n/an/a 2.55E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 dose response Active/Probe assessment-DTT assay has been developed to evaluate the effects of increased DTT concentration on the MKP-1 inhi...


PubChem Bioassay (2006)

More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35379
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[4-ami...)
Show SMILES CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O
Show InChI InChI=1S/C25H24N4O6/c1-14(2)12-29-22(26)21(23(31)28(3)25(29)33)19(30)13-35-24(32)16-11-18(20-9-6-10-34-20)27-17-8-5-4-7-15(16)17/h4-11,14H,12-13,26H2,1-3H3
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n/an/a 1.68E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 Phosphatase Dose Response Confirmation and Secondary Selectivity/Specificity Assay has been Developed and Run at the University of Pittsbur...


PubChem Bioassay (2006)

More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM35379
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[4-ami...)
Show SMILES CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O
Show InChI InChI=1S/C25H24N4O6/c1-14(2)12-29-22(26)21(23(31)28(3)25(29)33)19(30)13-35-24(32)16-11-18(20-9-6-10-34-20)27-17-8-5-4-7-15(16)17/h4-11,14H,12-13,26H2,1-3H3
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n/an/a 1.31E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase Secondary Selectivity Assay has been developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) part...


PubChem Bioassay (2006)

More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM35379
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[4-ami...)
Show SMILES CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O
Show InChI InChI=1S/C25H24N4O6/c1-14(2)12-29-22(26)21(23(31)28(3)25(29)33)19(30)13-35-24(32)16-11-18(20-9-6-10-34-20)27-17-8-5-4-7-15(16)17/h4-11,14H,12-13,26H2,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-3 Phosphatase Secondary Selectivity Assay has been developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) part ...


PubChem Bioassay (2006)

More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35379
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[4-ami...)
Show SMILES CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O
Show InChI InChI=1S/C25H24N4O6/c1-14(2)12-29-22(26)21(23(31)28(3)25(29)33)19(30)13-35-24(32)16-11-18(20-9-6-10-34-20)27-17-8-5-4-7-15(16)17/h4-11,14H,12-13,26H2,1-3H3
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n/an/a 2.55E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-1...


PubChem Bioassay (2006)

More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35379
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[4-ami...)
Show SMILES CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O
Show InChI InChI=1S/C25H24N4O6/c1-14(2)12-29-22(26)21(23(31)28(3)25(29)33)19(30)13-35-24(32)16-11-18(20-9-6-10-34-20)27-17-8-5-4-7-15(16)17/h4-11,14H,12-13,26H2,1-3H3
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n/an/a 2.42E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-1 inhibit...


PubChem Bioassay (2006)

More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM35379
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[4-ami...)
Show SMILES CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O
Show InChI InChI=1S/C25H24N4O6/c1-14(2)12-29-22(26)21(23(31)28(3)25(29)33)19(30)13-35-24(32)16-11-18(20-9-6-10-34-20)27-17-8-5-4-7-15(16)17/h4-11,14H,12-13,26H2,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM35379
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[4-ami...)
Show SMILES CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O
Show InChI InChI=1S/C25H24N4O6/c1-14(2)12-29-22(26)21(23(31)28(3)25(29)33)19(30)13-35-24(32)16-11-18(20-9-6-10-34-20)27-17-8-5-4-7-15(16)17/h4-11,14H,12-13,26H2,1-3H3
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n/an/a 5.81E+3n/an/an/an/an/an/a



Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
LYP, a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling, is encoded by the PTPN22 ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM35379
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[4-ami...)
Show SMILES CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O
Show InChI InChI=1S/C25H24N4O6/c1-14(2)12-29-22(26)21(23(31)28(3)25(29)33)19(30)13-35-24(32)16-11-18(20-9-6-10-34-20)27-17-8-5-4-7-15(16)17/h4-11,14H,12-13,26H2,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-3 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-3...


PubChem Bioassay (2006)

More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM35379
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[4-ami...)
Show SMILES CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O
Show InChI InChI=1S/C25H24N4O6/c1-14(2)12-29-22(26)21(23(31)28(3)25(29)33)19(30)13-35-24(32)16-11-18(20-9-6-10-34-20)27-17-8-5-4-7-15(16)17/h4-11,14H,12-13,26H2,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-3 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-3 inhibit...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM35379
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[4-ami...)
Show SMILES CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O
Show InChI InChI=1S/C25H24N4O6/c1-14(2)12-29-22(26)21(23(31)28(3)25(29)33)19(30)13-35-24(32)16-11-18(20-9-6-10-34-20)27-17-8-5-4-7-15(16)17/h4-11,14H,12-13,26H2,1-3H3
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n/an/a 4.66E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 Dual Specificity Protein Tyrosine Phosphatase Probe Assessment Cdc25B Dose Response Selectivity Assay has been developed to evaluate the PT...


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM35379
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[4-ami...)
Show SMILES CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O
Show InChI InChI=1S/C25H24N4O6/c1-14(2)12-29-22(26)21(23(31)28(3)25(29)33)19(30)13-35-24(32)16-11-18(20-9-6-10-34-20)27-17-8-5-4-7-15(16)17/h4-11,14H,12-13,26H2,1-3H3
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n/an/a 2.59E+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...


Citation and Details
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM35379
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[4-ami...)
Show SMILES CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O
Show InChI InChI=1S/C25H24N4O6/c1-14(2)12-29-22(26)21(23(31)28(3)25(29)33)19(30)13-35-24(32)16-11-18(20-9-6-10-34-20)27-17-8-5-4-7-15(16)17/h4-11,14H,12-13,26H2,1-3H3
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n/an/a 5.00E+4n/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: John A. Katzenellenbogen, ...


Citation and Details
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens)
BDBM35379
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[4-ami...)
Show SMILES CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O
Show InChI InChI=1S/C25H24N4O6/c1-14(2)12-29-22(26)21(23(31)28(3)25(29)33)19(30)13-35-24(32)16-11-18(20-9-6-10-34-20)27-17-8-5-4-7-15(16)17/h4-11,14H,12-13,26H2,1-3H3
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n/an/a 5.00E+4n/an/an/an/a7.023



CC_PMLSC

Curated by PubChem BioAssay


Assay Description
The MKP-1 dose response assay SAR support Assay - has been developed to test the activity of a series Analog compounds synthesized by the PMLSC Chemi...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair