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SMILES O=C(N[C@H](C1CC1)c1ccccn1)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1

InChI Key InChIKey=PMDUMOUXISSZED-BTOOTBGFSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50081573   

TargetDual specificity protein kinase TTK(Homo sapiens (Human))
EntreMed Inc.

Curated by ChEMBL
LigandPNGBDBM50081573(CHEMBL3422085)copy SMILEScopy InChI
Affinity DataIC50: 2nMAssay Description:Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2Q52RCNPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
EntreMed Inc.

Curated by ChEMBL
LigandPNGBDBM50081573(CHEMBL3422085)copy SMILEScopy InChI
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of human CYP3A4 using BFC as substrate preincubated for 10 mins followed by enzyme/substrate addition measured after 30 mins by fluorescen...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2Q52RCNPubMed