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BDBM46830 MLS000047371::N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanamide::N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]acetamide::N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide::N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)sulfonylpiperazino]acetamide::N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{4-[(4-fluorophenyl)sulfonyl]piperazin-1-yl}acetamide::SMR000033382::cid_3239778

SMILES: Fc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)CC1

InChI Key: InChIKey=GOAVVQBMTILWDO-UHFFFAOYSA-N

Data: 1 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 46830   
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))
BDBM46830
PNG
(MLS000047371 | N-[4-chloranyl-3-(trifluoromethyl)p...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C19H18ClF4N3O3S/c20-17-6-3-14(11-16(17)19(22,23)24)25-18(28)12-26-7-9-27(10-8-26)31(29,30)15-4-1-13(21)2-5-15/h1-6,11H,7-10,12H2,(H,25,28)
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 3.50E+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
TPA: Essential protein of the mitochondrial intermembrane space


(Saccharomyces cerevisiae S288c)
BDBM46830
PNG
(MLS000047371 | N-[4-chloranyl-3-(trifluoromethyl)p...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C19H18ClF4N3O3S/c20-17-6-3-14(11-16(17)19(22,23)24)25-18(28)12-26-7-9-27(10-8-26)31(29,30)15-4-1-13(21)2-5-15/h1-6,11H,7-10,12H2,(H,25,28)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem

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PCBioAssay
n/an/a 1.88E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F18X6W
More data for this
Ligand-Target Pair
transient receptor potential cation channel, subfamily N, member 1


(Danio rerio)
BDBM46830
PNG
(MLS000047371 | N-[4-chloranyl-3-(trifluoromethyl)p...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C19H18ClF4N3O3S/c20-17-6-3-14(11-16(17)19(22,23)24)25-18(28)12-26-7-9-27(10-8-26)31(29,30)15-4-1-13(21)2-5-15/h1-6,11H,7-10,12H2,(H,25,28)
KEGG

UniProtKB/TrEMBL

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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