BDBM45637 4-[2-(cyclohexylamino)-1-[2-(4-morpholinyl)ethyl-(1-oxo-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzoic acid methyl ester::4-[2-(cyclohexylamino)-2-keto-1-[2-morpholinoethyl-[2-(2-thienyl)acetyl]amino]ethyl]benzoic acid methyl ester::MLS000718175::SMR000279943::cid_3191170::methyl 4-[2-(cyclohexylamino)-1-[2-morpholin-4-ylethyl(2-thiophen-2-ylethanoyl)amino]-2-oxidanylidene-ethyl]benzoate::methyl 4-[2-(cyclohexylamino)-1-[2-morpholin-4-ylethyl-(2-thiophen-2-ylacetyl)amino]-2-oxoethyl]benzoate

SMILES COC(=O)c1ccc(cc1)C(N(CCN1CCOCC1)C(=O)Cc1cccs1)C(=O)NC1CCCCC1

InChI Key InChIKey=KGOLMXAQOJWMBK-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 45637   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45637BDBM45637(cid_3191170 | methyl 4-[2-(cyclohexylamino)-1-[2-m...)
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:
5/27/2011
Entry Details
PCBioAssay