BDBM50181512 CHEMBL3819277::US10023539, Example WO 2006/072350 Example 67

SMILES CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO

InChI Key InChIKey=GZPIECMFJJLDAB-UHFFFAOYSA-N

Data  3 IC50  1 Kd

  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 4 hits for monomerid = 50181512   

TargetProteinase-activated receptor 1(Homo sapiens (Human))
Bayer Pharma

Curated by ChEMBL
LigandPNGBDBM50181512(CHEMBL3819277 | US10023539, Example WO 2006/07235...)
Affinity DataIC50:  70nMAssay Description:Antagonist activity at PAR1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetN-lysine methyltransferase SMYD2(Homo sapiens (Human))
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM50181512(CHEMBL3819277 | US10023539, Example WO 2006/07235...)
Affinity DataIC50:  548nMpH: 9.0Assay Description:SMYD2 inhibitory activities of the compounds described in the present invention were quantified using a scintillation proximity assay (SPA) which mea...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetN-lysine methyltransferase SMYD2(Homo sapiens (Human))
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM50181512(CHEMBL3819277 | US10023539, Example WO 2006/07235...)
Affinity DataKd:  540nMAssay Description:Binding affinity to SMYD2 (unknown origin) by isothermal colorimetric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetN-lysine methyltransferase SMYD2(Homo sapiens (Human))
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM50181512(CHEMBL3819277 | US10023539, Example WO 2006/07235...)
Affinity DataIC50:  800nMAssay Description:Inhibition of full length 6xHis-tagged SMYD2 (unknown origin) expressed in Escherichia coli using Btn-Ahx GSRAHSSHLKSKKGQSTSRH-amide as substrate aft...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed