BDBM50081578 CHEMBL3422091

SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H](C1CC1)c1ccccn1

InChI Key InChIKey=DUKJABPGWUISRC-BOSRLCDASA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50081578   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Entremed

Curated by ChEMBL
LigandPNGBDBM50081578(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 DepthDetails ArticlePubMed
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Entremed

Curated by ChEMBL
LigandPNGBDBM50081578(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 DepthDetails ArticlePubMed
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Entremed

Curated by ChEMBL
LigandPNGBDBM50081578(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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Entremed

Curated by ChEMBL
LigandPNGBDBM50081578(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 DepthDetails ArticlePubMed