BDBM45503 1-(2,6-dichlorophenyl)sulfonyl-4-piperidinecarboxylic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester::1-(2,6-dichlorophenyl)sulfonylisonipecotic acid [2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester::MLS000567063::SMR000153829::[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 1-[2,6-bis(chloranyl)phenyl]sulfonylpiperidine-4-carboxylate::[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate::cid_2490732

SMILES Cc1cc(NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)c2c(Cl)cccc2Cl)no1

InChI Key InChIKey=IARBWSWWJRGJKJ-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 45503   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45503BDBM45503(SMR000153829 | 1-(2,6-dichlorophenyl)sulfonyl-4-pi...)
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