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BDBM96925 2-[(4-methylbenzyl)thio]-N-[5-morpholinosulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide::2-[(4-methylphenyl)methylsulfanyl]-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide::2-[(4-methylphenyl)methylsulfanyl]-N-[5-morpholin-4-ylsulfonyl-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]ethanamide::2-[(4-methylphenyl)methylthio]-N-[5-(4-morpholinylsulfonyl)-2-(2,2,2-trifluoroethoxy)phenyl]acetamide::MLS002182285::SMR001271315::cid_25163212

SMILES: Cc1ccc(CSCC(=O)Nc2cc(ccc2OCC(F)(F)F)S(=O)(=O)N2CCOCC2)cc1

InChI Key: InChIKey=BWDXXFYLFJLISK-UHFFFAOYSA-N

Data: 2 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 4 hits for monomerid = 96925   
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
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM96925
PNG
(2-[(4-methylbenzyl)thio]-N-[5-morpholinosulfonyl-2...)
Show SMILES Cc1ccc(CSCC(=O)Nc2cc(ccc2OCC(F)(F)F)S(=O)(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C22H25F3N2O5S2/c1-16-2-4-17(5-3-16)13-33-14-21(28)26-19-12-18(6-7-20(19)32-15-22(23,24)25)34(29,30)27-8-10-31-11-9-27/h2-7,12H,8-11,13-15H2,1H3,(H,26,28)
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PC sid
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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




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20G3HS3
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM96925
PNG
(2-[(4-methylbenzyl)thio]-N-[5-morpholinosulfonyl-2...)
Show SMILES Cc1ccc(CSCC(=O)Nc2cc(ccc2OCC(F)(F)F)S(=O)(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C22H25F3N2O5S2/c1-16-2-4-17(5-3-16)13-33-14-21(28)26-19-12-18(6-7-20(19)32-15-22(23,24)25)34(29,30)27-8-10-31-11-9-27/h2-7,12H,8-11,13-15H2,1H3,(H,26,28)
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n/an/a 1.25E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QSB
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96925
PNG
(2-[(4-methylbenzyl)thio]-N-[5-morpholinosulfonyl-2...)
Show SMILES Cc1ccc(CSCC(=O)Nc2cc(ccc2OCC(F)(F)F)S(=O)(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C22H25F3N2O5S2/c1-16-2-4-17(5-3-16)13-33-14-21(28)26-19-12-18(6-7-20(19)32-15-22(23,24)25)34(29,30)27-8-10-31-11-9-27/h2-7,12H,8-11,13-15H2,1H3,(H,26,28)
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
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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




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2M61HV2
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96925
PNG
(2-[(4-methylbenzyl)thio]-N-[5-morpholinosulfonyl-2...)
Show SMILES Cc1ccc(CSCC(=O)Nc2cc(ccc2OCC(F)(F)F)S(=O)(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C22H25F3N2O5S2/c1-16-2-4-17(5-3-16)13-33-14-21(28)26-19-12-18(6-7-20(19)32-15-22(23,24)25)34(29,30)27-8-10-31-11-9-27/h2-7,12H,8-11,13-15H2,1H3,(H,26,28)
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2VQ3196
More data for this
Ligand-Target Pair