BDBM50081562 CHEMBL3422073

SMILES O=CN1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)NC(c5ccccn5)C5CC5)cc34)cc2)CC1

InChI Key InChIKey=GXKIHPXGVQZMIN-UHFFFAOYSA-N

Data  2 IC50

  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 = 50081562   

TargetDual specificity protein kinase TTK(Human)
Entremed

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50081562BDBM50081562(CHEMBL3422073)
Affinity DataIC50: 9.40nMAssay 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 Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Entremed

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50081562BDBM50081562(CHEMBL3422073)
Affinity DataIC50: 1.50E+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 Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed