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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 54849   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM54849
PNG
(5-chloranyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylph...)
Show SMILES CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1
Show InChI InChI=1S/C19H23ClN4O5S2/c1-3-14-6-4-5-11-24(14)31(28,29)15-9-7-13(8-10-15)22-18(25)17-16(20)12-21-19(23-17)30(2,26)27/h7-10,12,14H,3-6,11H2,1-2H3,(H,22,25)
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n/an/a 3.23E+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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM54849
PNG
(5-chloranyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylph...)
Show SMILES CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1
Show InChI InChI=1S/C19H23ClN4O5S2/c1-3-14-6-4-5-11-24(14)31(28,29)15-9-7-13(8-10-15)22-18(25)17-16(20)12-21-19(23-17)30(2,26)27/h7-10,12,14H,3-6,11H2,1-2H3,(H,22,25)
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n/an/a 5.11E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM54849
PNG
(5-chloranyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylph...)
Show SMILES CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1
Show InChI InChI=1S/C19H23ClN4O5S2/c1-3-14-6-4-5-11-24(14)31(28,29)15-9-7-13(8-10-15)22-18(25)17-16(20)12-21-19(23-17)30(2,26)27/h7-10,12,14H,3-6,11H2,1-2H3,(H,22,25)
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n/an/a 5.90E+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/Q2CJ8BXT
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM54849
PNG
(5-chloranyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylph...)
Show SMILES CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1
Show InChI InChI=1S/C19H23ClN4O5S2/c1-3-14-6-4-5-11-24(14)31(28,29)15-9-7-13(8-10-15)22-18(25)17-16(20)12-21-19(23-17)30(2,26)27/h7-10,12,14H,3-6,11H2,1-2H3,(H,22,25)
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n/an/a 8.34E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa)
BDBM54849
PNG
(5-chloranyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylph...)
Show SMILES CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1
Show InChI InChI=1S/C19H23ClN4O5S2/c1-3-14-6-4-5-11-24(14)31(28,29)15-9-7-13(8-10-15)22-18(25)17-16(20)12-21-19(23-17)30(2,26)27/h7-10,12,14H,3-6,11H2,1-2H3,(H,22,25)
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n/an/a 1.11E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2G15ZB8
More data for this
Ligand-Target Pair