BDBM45720 4-[[2-(3,5-dimethylanilino)-2-keto-ethyl]amino]benzoic acid methyl ester::4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]benzoic acid methyl ester::MLS001005051::SMR000377892::cid_2339009::methyl 4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]benzoate::methyl 4-[[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]benzoate

SMILES COC(=O)c1ccc(NCC(=O)Nc2cc(C)cc(C)c2)cc1

InChI Key InChIKey=VVRCOESFERSGHT-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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 45720   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45720BDBM45720(MLS001005051 | 4-[[2-(3,5-dimethylanilino)-2-oxoet...)
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