BDBM103302 SCH772984::US8546404, 6

SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1

InChI Key InChIKey=HDAJDNHIBCDLQF-RUZDIDTESA-N

Data  17 IC50  4 Kd  4 ITC

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 103302   

TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
George Washington University

LigandPNGBDBM103302(SCH772984 | US8546404, 6)
Affinity DataKd:  213nMpH: 7.5 T: 2°CAssay Description:For ERK1 and ERK2, the buffer contained 20 mM HEPES (pH 7.5), 150 mM NaCl and 0.5 mM TCEP. For haspin, the buffer contained 20 mM HEPES (pH 7.5), 250...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
George Washington University

LigandPNGBDBM103302(SCH772984 | US8546404, 6)
Affinity DataIC50:  8.30nMAssay Description:The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 103302   

CellMAP kinase ERK1(Homo sapiens (Human))
George Washington University

SyringePNGBDBM103302(SCH772984 | US8546404, 6)
ITC DataΔG°: -8.78kcal/mole −TΔS°: 11.8kcal/mole ΔH°: -20.6kcal/mole logk: 4.59E+6
pH: 7.5 T: 15.00°C 
In DepthDetails ArticlePubMed