BDBM32753 2-(cyclohexanecarbonylamino)acetic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester::2-[[cyclohexyl(oxo)methyl]amino]acetic acid [2-(4-cyanoanilino)-2-oxoethyl] ester::MLS000570346::SMR000150383::[2-(4-cyanoanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate::[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(cyclohexylcarbonylamino)ethanoate::cid_2100448

SMILES O=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccc(cc1)C#N

InChI Key InChIKey=FNDKZAFZEOXKPT-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 32753   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32753(cid_2100448 | [2-[(4-cyanophenyl)amino]-2-oxidanyl...)
Affinity DataIC50: 5.00E+4nMpH: 7.4 T: 2°CAssay Description:HTS was performed on a total of 33,068 compounds of the MLSCN library, 23,017 of which were not in the mixture HTS plates used previously. These comp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/9/2009
Entry Details
PCBioAssay
TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32753(cid_2100448 | [2-[(4-cyanophenyl)amino]-2-oxidanyl...)
Affinity DataIC50: 5.00E+4nMpH: 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
LigandPNGBDBM32753(cid_2100448 | [2-[(4-cyanophenyl)amino]-2-oxidanyl...)
Affinity DataIC50: 5.00E+4nMAssay 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