BDBM32688 MLS000124092::SMR000124538::[1-(3-Chloro-4-methoxy-benzenesulfonyl)-piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)-methanone::[1-(3-chloranyl-4-methoxy-phenyl)sulfonylpiperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone::[1-(3-chloro-4-methoxy-phenyl)sulfonyl-4-piperidyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone::[1-(3-chloro-4-methoxyphenyl)sulfonyl-4-piperidinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone::[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone::cid_1093376

SMILES COc1ccc(cc1Cl)S(=O)(=O)N1CCC(CC1)C(=O)N1CCc2ccccc2C1

InChI Key InChIKey=MQNLCJZCNKGHCR-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 32688   

TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32688(cid_1093376 | MLS000124092 | [1-(3-chloro-4-methox...)
Affinity DataIC50: 6.26E+3nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2009
Entry Details
PCBioAssay
TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32688(cid_1093376 | MLS000124092 | [1-(3-chloro-4-methox...)
Affinity DataIC50: 6.26E+3nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2011
Entry Details
PCBioAssay