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2 similar compounds to monomer 46993

Compile data set for download or QSAR
Wt: 413.8
BDBM46991		Wt: 467.8
BDBM46992Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 46991,46992   
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))		BDBM46992
PNG
(3-(4-chlorophenyl)-5-methyl-4-(1-{[3-(trifluoromet...)
Show SMILES Cc1onc(c1-c1ccnn1S(=O)(=O)c1cccc(c1)C(F)(F)F)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H13ClF3N3O3S/c1-12-18(19(26-30-12)13-5-7-15(21)8-6-13)17-9-10-25-27(17)31(28,29)16-4-2-3-14(11-16)20(22,23)24/h2-11H,1H3
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n/an/an/an/a 4.26E+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 (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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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)		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>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)		BDBM46992
PNG
(3-(4-chlorophenyl)-5-methyl-4-(1-{[3-(trifluoromet...)
Show SMILES Cc1onc(c1-c1ccnn1S(=O)(=O)c1cccc(c1)C(F)(F)F)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H13ClF3N3O3S/c1-12-18(19(26-30-12)13-5-7-15(21)8-6-13)17-9-10-25-27(17)31(28,29)16-4-2-3-14(11-16)20(22,23)24/h2-11H,1H3
KEGG

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