BDBM50081578 CHEMBL3422091

SMILES O=C(N[C@H](c1ccccn1)C1CC1)c1ccc2[nH]nc(-c3ccc(N4[C@H]5CC[C@H]4CC(O)C5)cc3)c2c1

InChI Key InChIKey=DUKJABPGWUISRC-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50081578   

TargetDual specificity protein kinase TTK(Human)
Entremed

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50081578BDBM50081578(CHEMBL3422091)
Affinity DataIC50: 1.20nMAssay 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
TargetDual specificity protein kinase TTK(Human)
Entremed

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50081578BDBM50081578(CHEMBL3422091)
Affinity DataIC50: 1.20nMAssay 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 50081578BDBM50081578(CHEMBL3422091)
Affinity DataIC50: 2.10E+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
TargetCytochrome P450 3A4(Human)
Entremed

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50081578BDBM50081578(CHEMBL3422091)
Affinity DataIC50: 2.10E+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