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BDBM41749 2-(2-Methoxy-phenyl)-3-(3-trifluoromethyl-benzenesulfonyl)-thiazolidine::2-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine::2-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-thiazolidine::2-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonylthiazolidine::MLS000030697::SMR000011601::cid_646735

SMILES: COc1ccccc1C1SCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=IANULKJFHGLGOX-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 = 41749   
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
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM41749
PNG
(2-(2-Methoxy-phenyl)-3-(3-trifluoromethyl-benzenes...)
Show SMILES COc1ccccc1C1SCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H16F3NO3S2/c1-24-15-8-3-2-7-14(15)16-21(9-10-25-16)26(22,23)13-6-4-5-12(11-13)17(18,19)20/h2-8,11,16H,9-10H2,1H3
PDB
MMDB

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PC cid
PC sid
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PCBioAssay
n/an/an/an/a>5.00E+4n/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z036KJ
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM41749
PNG
(2-(2-Methoxy-phenyl)-3-(3-trifluoromethyl-benzenes...)
Show SMILES COc1ccccc1C1SCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H16F3NO3S2/c1-24-15-8-3-2-7-14(15)16-21(9-10-25-16)26(22,23)13-6-4-5-12(11-13)17(18,19)20/h2-8,11,16H,9-10H2,1H3
PDB

KEGG

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B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-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, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM41749
PNG
(2-(2-Methoxy-phenyl)-3-(3-trifluoromethyl-benzenes...)
Show SMILES COc1ccccc1C1SCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H16F3NO3S2/c1-24-15-8-3-2-7-14(15)16-21(9-10-25-16)26(22,23)13-6-4-5-12(11-13)17(18,19)20/h2-8,11,16H,9-10H2,1H3
PDB
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PC cid
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PCBioAssay
n/an/an/an/a>5.00E+4n/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2N58JS6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM41749
PNG
(2-(2-Methoxy-phenyl)-3-(3-trifluoromethyl-benzenes...)
Show SMILES COc1ccccc1C1SCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H16F3NO3S2/c1-24-15-8-3-2-7-14(15)16-21(9-10-25-16)26(22,23)13-6-4-5-12(11-13)17(18,19)20/h2-8,11,16H,9-10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

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



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair