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BDBM32686 4-(2-Morpholin-4-yl-2-oxo-ethoxy)-N-p-tolyl-benzenesulfonamide::4-(2-keto-2-morpholino-ethoxy)-N-(p-tolyl)benzenesulfonamide::CHEMBL235929::MLS000124061::N-(4-methylphenyl)-4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)benzenesulfonamide::N-(4-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide::N-(4-methylphenyl)-4-[2-(4-morpholinyl)-2-oxoethoxy]benzenesulfonamide::SMR000124525::cid_1092897

SMILES: Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)cc1

InChI Key: InChIKey=BTDKTUBPVBEYGA-UHFFFAOYSA-N

Data: 2 IC50  1 Kd

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 = 32686   
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
Coagulation factor XI


(Homo sapiens (Human))
BDBM32686
PNG
(4-(2-Morpholin-4-yl-2-oxo-ethoxy)-N-p-tolyl-benzen...)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)cc1
Show InChI InChI=1S/C19H22N2O5S/c1-15-2-4-16(5-3-15)20-27(23,24)18-8-6-17(7-9-18)26-14-19(22)21-10-12-25-13-11-21/h2-9,20H,10-14H2,1H3
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PC cid
PC sid
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Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2N29V8J
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM32686
PNG
(4-(2-Morpholin-4-yl-2-oxo-ethoxy)-N-p-tolyl-benzen...)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)cc1
Show InChI InChI=1S/C19H22N2O5S/c1-15-2-4-16(5-3-15)20-27(23,24)18-8-6-17(7-9-18)26-14-19(22)21-10-12-25-13-11-21/h2-9,20H,10-14H2,1H3
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Article
PubMed
n/an/an/a>1.00E+6n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM32686
PNG
(4-(2-Morpholin-4-yl-2-oxo-ethoxy)-N-p-tolyl-benzen...)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)cc1
Show InChI InChI=1S/C19H22N2O5S/c1-15-2-4-16(5-3-15)20-27(23,24)18-8-6-17(7-9-18)26-14-19(22)21-10-12-25-13-11-21/h2-9,20H,10-14H2,1H3
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PC cid
PC sid
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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/Q2W957K6
More data for this
Ligand-Target Pair