BDBM40362 MLS000044908::N'-(2-methoxy-5-methyl-phenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide::N'-(2-methoxy-5-methyl-phenyl)-N-[4-methyl-2-(4-methylpiperazino)-6-quinolyl]succinamide::N'-(2-methoxy-5-methylphenyl)-N-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]butanediamide::N'-(2-methoxy-5-methylphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide::N-(2-methoxy-5-methylphenyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]succinamide::SMR000023015::cid_3239574

SMILES COc1ccc(C)cc1NC(=O)CCC(=O)Nc1ccc2nc(cc(C)c2c1)N1CCN(C)CC1

InChI Key InChIKey=PTRLANIIQYVQQC-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 40362   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 40362BDBM40362(SMR000023015 | N'-(2-methoxy-5-methylphenyl)-N-[4-...)
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:
5/6/2011
Entry Details
PCBioAssay