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2 similar compounds to monomer 46992

Compile data set for download or QSAR
Wt: 413.8
BDBM46991
Wt: 379.4
BDBM46993
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 46991,46993   
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
MCOLN3 protein


(Homo sapiens (Human))
BDBM46991
PNG
(3-(4-chlorophenyl)-5-methyl-4-(2-tosylpyrazol-3-yl...)
Show SMILES Cc1onc(c1-c1ccnn1S(=O)(=O)c1ccc(C)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H16ClN3O3S/c1-13-3-9-17(10-4-13)28(25,26)24-18(11-12-22-24)19-14(2)27-23-20(19)15-5-7-16(21)8-6-15/h3-12H,1-2H3
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n/an/an/an/a 325n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
BDBM46993
PNG
(5-methyl-3-phenyl-4-(2-tosylpyrazol-3-yl)isoxazole...)
Show SMILES Cc1onc(c1-c1ccnn1S(=O)(=O)c1ccc(C)cc1)-c1ccccc1
Show InChI InChI=1S/C20H17N3O3S/c1-14-8-10-17(11-9-14)27(24,25)23-18(12-13-21-23)19-15(2)26-22-20(19)16-6-4-3-5-7-16/h3-13H,1-2H3
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n/an/an/an/a 819n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
transient receptor potential cation channel, subfamily N, member 1


(Danio rerio)
BDBM46991
PNG
(3-(4-chlorophenyl)-5-methyl-4-(2-tosylpyrazol-3-yl...)
Show SMILES Cc1onc(c1-c1ccnn1S(=O)(=O)c1ccc(C)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H16ClN3O3S/c1-13-3-9-17(10-4-13)28(25,26)24-18(11-12-22-24)19-14(2)27-23-20(19)15-5-7-16(21)8-6-15/h3-12H,1-2H3
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UniProtKB/TrEMBL

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UniChem

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n/an/an/an/a 2.99E+4n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2Z60MG3
More data for this
Ligand-Target Pair
transient receptor potential cation channel, subfamily N, member 1


(Danio rerio)
BDBM46993
PNG
(5-methyl-3-phenyl-4-(2-tosylpyrazol-3-yl)isoxazole...)
Show SMILES Cc1onc(c1-c1ccnn1S(=O)(=O)c1ccc(C)cc1)-c1ccccc1
Show InChI InChI=1S/C20H17N3O3S/c1-14-8-10-17(11-9-14)27(24,25)23-18(12-13-21-23)19-15(2)26-22-20(19)16-6-4-3-5-7-16/h3-13H,1-2H3
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n/an/an/an/a 2.99E+4n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2Z60MG3
More data for this
Ligand-Target Pair
LANA


(Human herpesvirus 8)
BDBM46991
PNG
(3-(4-chlorophenyl)-5-methyl-4-(2-tosylpyrazol-3-yl...)
Show SMILES Cc1onc(c1-c1ccnn1S(=O)(=O)c1ccc(C)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H16ClN3O3S/c1-13-3-9-17(10-4-13)28(25,26)24-18(11-12-22-24)19-14(2)27-23-20(19)15-5-7-16(21)8-6-15/h3-12H,1-2H3
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n/an/an/an/a>7.50E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
BDBM46991
PNG
(3-(4-chlorophenyl)-5-methyl-4-(2-tosylpyrazol-3-yl...)
Show SMILES Cc1onc(c1-c1ccnn1S(=O)(=O)c1ccc(C)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H16ClN3O3S/c1-13-3-9-17(10-4-13)28(25,26)24-18(11-12-22-24)19-14(2)27-23-20(19)15-5-7-16(21)8-6-15/h3-12H,1-2H3
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n/an/an/an/a 253n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W66J7S
More data for this
Ligand-Target Pair
transient receptor potential cation channel, subfamily N, member 1


(Danio rerio)
BDBM46993
PNG
(5-methyl-3-phenyl-4-(2-tosylpyrazol-3-yl)isoxazole...)
Show SMILES Cc1onc(c1-c1ccnn1S(=O)(=O)c1ccc(C)cc1)-c1ccccc1
Show InChI InChI=1S/C20H17N3O3S/c1-14-8-10-17(11-9-14)27(24,25)23-18(12-13-21-23)19-15(2)26-22-20(19)16-6-4-3-5-7-16/h3-13H,1-2H3
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UniProtKB/TrEMBL

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UniChem

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n/an/an/an/a>2.99E+4n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27D2SM8
More data for this
Ligand-Target Pair
transient receptor potential cation channel, subfamily N, member 1


(Danio rerio)
BDBM46991
PNG
(3-(4-chlorophenyl)-5-methyl-4-(2-tosylpyrazol-3-yl...)
Show SMILES Cc1onc(c1-c1ccnn1S(=O)(=O)c1ccc(C)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H16ClN3O3S/c1-13-3-9-17(10-4-13)28(25,26)24-18(11-12-22-24)19-14(2)27-23-20(19)15-5-7-16(21)8-6-15/h3-12H,1-2H3
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UniProtKB/TrEMBL

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UniChem

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n/an/an/an/a>2.99E+4n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27D2SM8
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
BDBM46993
PNG
(5-methyl-3-phenyl-4-(2-tosylpyrazol-3-yl)isoxazole...)
Show SMILES Cc1onc(c1-c1ccnn1S(=O)(=O)c1ccc(C)cc1)-c1ccccc1
Show InChI InChI=1S/C20H17N3O3S/c1-14-8-10-17(11-9-14)27(24,25)23-18(12-13-21-23)19-15(2)26-22-20(19)16-6-4-3-5-7-16/h3-13H,1-2H3
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n/an/an/an/a 1.01E+3n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W66J7S
More data for this
Ligand-Target Pair