BDBM45521 (2,6-dimethylpyrimidin-4-yl) 2,4-bis(chloranyl)benzoate::(2,6-dimethylpyrimidin-4-yl) 2,4-dichlorobenzoate::2,4-dichlorobenzoic acid (2,6-dimethyl-4-pyrimidinyl) ester::2,4-dichlorobenzoic acid (2,6-dimethylpyrimidin-4-yl) ester::2,6-dimethyl-4-pyrimidinyl 2,4-dichlorobenzenecarboxylate::MLS000546431::SMR000169601::cid_1476061

SMILES Cc1cc(OC(=O)c2ccc(Cl)cc2Cl)nc(C)n1

InChI Key InChIKey=KVWGWLYVGGZBSZ-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 = 45521   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45521BDBM45521(MLS000546431 | SMR000169601 | (2,6-dimethylpyrimid...)
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