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2 similar compounds to monomer 34336

Compile data set for download or QSAR
Wt: 445.5
BDBM46646
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Wt: 459.5
BDBM46647
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 46646,46647   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
RGS7


(Homo sapiens (Human))
BDBM46646
PNG
(2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phen...)
Show SMILES O=c1n(sc2ccccc12)-c1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H23N3O4S2/c25-21-17-5-1-2-6-20(17)29-24(21)19-15-16(7-8-18(19)22-9-3-4-10-22)30(26,27)23-11-13-28-14-12-23/h1-2,5-8,15H,3-4,9-14H2
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n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PV6HS7
More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens (Human))
BDBM46646
PNG
(2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phen...)
Show SMILES O=c1n(sc2ccccc12)-c1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H23N3O4S2/c25-21-17-5-1-2-6-20(17)29-24(21)19-15-16(7-8-18(19)22-9-3-4-10-22)30(26,27)23-11-13-28-14-12-23/h1-2,5-8,15H,3-4,9-14H2
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Article
PubMed
n/an/a 7.50E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
eukaryotic translation initiation factor 4 gamma, 1 isoform 4


(Homo sapiens (Human))
BDBM46646
PNG
(2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phen...)
Show SMILES O=c1n(sc2ccccc12)-c1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H23N3O4S2/c25-21-17-5-1-2-6-20(17)29-24(21)19-15-16(7-8-18(19)22-9-3-4-10-22)30(26,27)23-11-13-28-14-12-23/h1-2,5-8,15H,3-4,9-14H2
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n/an/a 3.45E+4n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2RN3686
More data for this
Ligand-Target Pair
regulator of G-protein signalling 16


(Homo sapiens (Human))
BDBM46646
PNG
(2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phen...)
Show SMILES O=c1n(sc2ccccc12)-c1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H23N3O4S2/c25-21-17-5-1-2-6-20(17)29-24(21)19-15-16(7-8-18(19)22-9-3-4-10-22)30(26,27)23-11-13-28-14-12-23/h1-2,5-8,15H,3-4,9-14H2
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n/an/an/an/a 2.26E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
phosphomannomutase 2


(Homo sapiens (Human))
BDBM46646
PNG
(2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phen...)
Show SMILES O=c1n(sc2ccccc12)-c1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H23N3O4S2/c25-21-17-5-1-2-6-20(17)29-24(21)19-15-16(7-8-18(19)22-9-3-4-10-22)30(26,27)23-11-13-28-14-12-23/h1-2,5-8,15H,3-4,9-14H2
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n/an/a 2.98E+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/Q2CJ8BWC
More data for this
Ligand-Target Pair
phosphomannomutase 2


(Homo sapiens (Human))
BDBM46647
PNG
(2-(5-morpholin-4-ylsulfonyl-2-piperidin-1-yl-pheny...)
Show SMILES O=c1n(sc2ccccc12)-c1cc(ccc1N1CCCCC1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C22H25N3O4S2/c26-22-18-6-2-3-7-21(18)30-25(22)20-16-17(31(27,28)24-12-14-29-15-13-24)8-9-19(20)23-10-4-1-5-11-23/h2-3,6-9,16H,1,4-5,10-15H2
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2CJ8BWC
More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens (Human))
BDBM46646
PNG
(2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phen...)
Show SMILES O=c1n(sc2ccccc12)-c1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H23N3O4S2/c25-21-17-5-1-2-6-20(17)29-24(21)19-15-16(7-8-18(19)22-9-3-4-10-22)30(26,27)23-11-13-28-14-12-23/h1-2,5-8,15H,3-4,9-14H2
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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
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/Q27S7M52
More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens (Human))
BDBM46647
PNG
(2-(5-morpholin-4-ylsulfonyl-2-piperidin-1-yl-pheny...)
Show SMILES O=c1n(sc2ccccc12)-c1cc(ccc1N1CCCCC1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C22H25N3O4S2/c26-22-18-6-2-3-7-21(18)30-25(22)20-16-17(31(27,28)24-12-14-29-15-13-24)8-9-19(20)23-10-4-1-5-11-23/h2-3,6-9,16H,1,4-5,10-15H2
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n/an/a 3.94E+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/Q27S7M52
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens (Human))
BDBM46646
PNG
(2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phen...)
Show SMILES O=c1n(sc2ccccc12)-c1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H23N3O4S2/c25-21-17-5-1-2-6-20(17)29-24(21)19-15-16(7-8-18(19)22-9-3-4-10-22)30(26,27)23-11-13-28-14-12-23/h1-2,5-8,15H,3-4,9-14H2
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n/an/a 7.51E+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/Q2J964TC
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens (Human))
BDBM46647
PNG
(2-(5-morpholin-4-ylsulfonyl-2-piperidin-1-yl-pheny...)
Show SMILES O=c1n(sc2ccccc12)-c1cc(ccc1N1CCCCC1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C22H25N3O4S2/c26-22-18-6-2-3-7-21(18)30-25(22)20-16-17(31(27,28)24-12-14-29-15-13-24)8-9-19(20)23-10-4-1-5-11-23/h2-3,6-9,16H,1,4-5,10-15H2
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n/an/a 3.92E+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/Q2J964TC
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 8


(Homo sapiens (Human))
BDBM46646
PNG
(2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phen...)
Show SMILES O=c1n(sc2ccccc12)-c1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H23N3O4S2/c25-21-17-5-1-2-6-20(17)29-24(21)19-15-16(7-8-18(19)22-9-3-4-10-22)30(26,27)23-11-13-28-14-12-23/h1-2,5-8,15H,3-4,9-14H2
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n/an/an/an/a 3.68E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TM78JD
More data for this
Ligand-Target Pair
regulator of G-protein signaling 4


(Homo sapiens (Human))
BDBM46646
PNG
(2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phen...)
Show SMILES O=c1n(sc2ccccc12)-c1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H23N3O4S2/c25-21-17-5-1-2-6-20(17)29-24(21)19-15-16(7-8-18(19)22-9-3-4-10-22)30(26,27)23-11-13-28-14-12-23/h1-2,5-8,15H,3-4,9-14H2
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2F76B0G
More data for this
Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens (Human))
BDBM46646
PNG
(2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phen...)
Show SMILES O=c1n(sc2ccccc12)-c1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H23N3O4S2/c25-21-17-5-1-2-6-20(17)29-24(21)19-15-16(7-8-18(19)22-9-3-4-10-22)30(26,27)23-11-13-28-14-12-23/h1-2,5-8,15H,3-4,9-14H2
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n/an/a 1.10E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM46646
PNG
(2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phen...)
Show SMILES O=c1n(sc2ccccc12)-c1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H23N3O4S2/c25-21-17-5-1-2-6-20(17)29-24(21)19-15-16(7-8-18(19)22-9-3-4-10-22)30(26,27)23-11-13-28-14-12-23/h1-2,5-8,15H,3-4,9-14H2
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Article
PubMed
n/an/a 7.50E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase (unknown origin)


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
phosphomannomutase 2


(Homo sapiens (Human))
BDBM46646
PNG
(2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phen...)
Show SMILES O=c1n(sc2ccccc12)-c1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H23N3O4S2/c25-21-17-5-1-2-6-20(17)29-24(21)19-15-16(7-8-18(19)22-9-3-4-10-22)30(26,27)23-11-13-28-14-12-23/h1-2,5-8,15H,3-4,9-14H2
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n/an/a 3.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PMM2 (unknown origin)


Bioorg Med Chem Lett 24: 4308-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GX4D7W
More data for this
Ligand-Target Pair
G protein signalling regulator 19


(Homo sapiens (Human))
BDBM46646
PNG
(2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phen...)
Show SMILES O=c1n(sc2ccccc12)-c1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H23N3O4S2/c25-21-17-5-1-2-6-20(17)29-24(21)19-15-16(7-8-18(19)22-9-3-4-10-22)30(26,27)23-11-13-28-14-12-23/h1-2,5-8,15H,3-4,9-14H2
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n/an/an/an/a 470n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2K35S27
More data for this
Ligand-Target Pair