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2 similar compounds to monomer 46991

Compile data set for download or QSAR
Wt: 467.8
BDBM46992
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Wt: 379.4
BDBM46993
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 46992,46993   
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))
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
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)
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

GoogleScholar
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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)
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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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
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
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

GoogleScholar
Purchase

PC cid
PC sid
UniChem

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PCBioAssay
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