BDBM50512317 CHEMBL4569626

SMILES COc1cc(ccc1Nc1nc(O[C@H]2CCOC(C)(C)C2)c2cc[nH]c2n1)N1CCN(CC1)C1COC1

InChI Key InChIKey=KMCUEAMBSQYCFS-FQEVSTJZSA-N

Data  3 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 3 hits for monomerid = 50512317   

TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Celgene

Curated by ChEMBL
LigandPNGBDBM50512317(CHEMBL4569626)
Affinity DataIC50:  44nMAssay Description:Inhibition of TTK autophosphorylation in human CAL51 cells by radioimmuno-precipitation assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50512317(CHEMBL4569626)
Affinity DataIC50: >5.00E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using ketoconazole as substrate incubated for 5 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Celgene

Curated by ChEMBL
LigandPNGBDBM50512317(CHEMBL4569626)
Affinity DataIC50:  2.5nMAssay Description:Inhibition of Kinase Tracer 236 binding to recombinant human full-length GST-tagged TTk expressed in baculovirus expression system measured after 1 h...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed