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BDBM56102 MLS000048051::N-methyl-N-(3-methylbutyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinamine;hydrochloride::N-methyl-N-(3-methylbutyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidin-4-amine;hydrochloride::N-methyl-N-(3-methylbutyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride::N-methyl-N-(3-methylbutyl)-1-{[3-(trifluoromethyl)phenyl]sulfonyl}piperidin-4-amine::SMR000034032::cid_6602880::isoamyl-methyl-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidyl]amine;hydrochloride

SMILES: CC(C)CCN(C)C1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=UDIPKFLRHYYUDF-UHFFFAOYSA-N

Data: 1 IC50  1 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 2 hits for monomerid = 56102   
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
LANA


(Human herpesvirus 8)
BDBM56102
PNG
(MLS000048051 | N-methyl-N-(3-methylbutyl)-1-[3-(tr...)
Show SMILES CC(C)CCN(C)C1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C18H27F3N2O2S/c1-14(2)7-10-22(3)16-8-11-23(12-9-16)26(24,25)17-6-4-5-15(13-17)18(19,20)21/h4-6,13-14,16H,7-12H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
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
Kallikrein 5


(Homo sapiens (Human))
BDBM56102
PNG
(MLS000048051 | N-methyl-N-(3-methylbutyl)-1-[3-(tr...)
Show SMILES CC(C)CCN(C)C1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C18H27F3N2O2S/c1-14(2)7-10-22(3)16-8-11-23(12-9-16)26(24,25)17-6-4-5-15(13-17)18(19,20)21/h4-6,13-14,16H,7-12H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair