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BDBM34204 1-amyl-2-hydroxy-4-keto-N-(4-pyridylmethyl)quinoline-3-carboxamide::2-hydroxy-4-oxo-1-pentyl-N-(pyridin-4-ylmethyl)-3-quinolinecarboxamide::2-hydroxy-4-oxo-1-pentyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide::2-oxidanyl-4-oxidanylidene-1-pentyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide::4-Hydroxy-2-oxo-1-pentyl-1,2-dihydro-quinoline-3-carboxylic acid (pyridin-4-ylmethyl)-amide::MLS000069039::SMR000008725::cid_649539

SMILES: CCCCCn1c2ccccc2c(O)c(C(=O)NCc2ccncc2)c1=O

InChI Key: InChIKey=ATDNAOUVAWAMRK-UHFFFAOYSA-N

Data: 1 IC50  4 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 = 34204   
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
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM34204
PNG
(1-amyl-2-hydroxy-4-keto-N-(4-pyridylmethyl)quinoli...)
Show SMILES CCCCCn1c2ccccc2c(O)c(C(=O)NCc2ccncc2)c1=O
Show InChI InChI=1S/C21H23N3O3/c1-2-3-6-13-24-17-8-5-4-7-16(17)19(25)18(21(24)27)20(26)23-14-15-9-11-22-12-10-15/h4-5,7-12,25H,2-3,6,13-14H2,1H3,(H,23,26)
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PCBioAssay
n/an/a 7.42E+3n/an/an/an/a8.023



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D5W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM34204
PNG
(1-amyl-2-hydroxy-4-keto-N-(4-pyridylmethyl)quinoli...)
Show SMILES CCCCCn1c2ccccc2c(O)c(C(=O)NCc2ccncc2)c1=O
Show InChI InChI=1S/C21H23N3O3/c1-2-3-6-13-24-17-8-5-4-7-16(17)19(25)18(21(24)27)20(26)23-14-15-9-11-22-12-10-15/h4-5,7-12,25H,2-3,6,13-14H2,1H3,(H,23,26)
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n/an/an/an/a 3.08E+4n/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 Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM34204
PNG
(1-amyl-2-hydroxy-4-keto-N-(4-pyridylmethyl)quinoli...)
Show SMILES CCCCCn1c2ccccc2c(O)c(C(=O)NCc2ccncc2)c1=O
Show InChI InChI=1S/C21H23N3O3/c1-2-3-6-13-24-17-8-5-4-7-16(17)19(25)18(21(24)27)20(26)23-14-15-9-11-22-12-10-15/h4-5,7-12,25H,2-3,6,13-14H2,1H3,(H,23,26)
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n/an/an/an/a 1.72E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM34204
PNG
(1-amyl-2-hydroxy-4-keto-N-(4-pyridylmethyl)quinoli...)
Show SMILES CCCCCn1c2ccccc2c(O)c(C(=O)NCc2ccncc2)c1=O
Show InChI InChI=1S/C21H23N3O3/c1-2-3-6-13-24-17-8-5-4-7-16(17)19(25)18(21(24)27)20(26)23-14-15-9-11-22-12-10-15/h4-5,7-12,25H,2-3,6,13-14H2,1H3,(H,23,26)
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n/an/an/an/a 2.44E+4n/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 Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM34204
PNG
(1-amyl-2-hydroxy-4-keto-N-(4-pyridylmethyl)quinoli...)
Show SMILES CCCCCn1c2ccccc2c(O)c(C(=O)NCc2ccncc2)c1=O
Show InChI InChI=1S/C21H23N3O3/c1-2-3-6-13-24-17-8-5-4-7-16(17)19(25)18(21(24)27)20(26)23-14-15-9-11-22-12-10-15/h4-5,7-12,25H,2-3,6,13-14H2,1H3,(H,23,26)
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n/an/an/an/a 1.98E+4n/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 Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair