BDBM50286777 CHEMBL4160401

SMILES NC(=O)NC\C=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12

InChI Key InChIKey=ZEUBXUYIRFFOOY-QOZQEUDZSA-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 = 50286777   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50286777(CHEMBL4160401)
Affinity DataIC50:  1.90E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) using BFC as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50286777(CHEMBL4160401)
Affinity DataIC50:  470nMAssay Description:Inhibition of recombinant human CYP2D6 expressed in insect microsomes using AMMC as substrate preincubated for 30 mins followed by NADPH addition mea...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50286777(CHEMBL4160401)
Affinity DataIC50:  210nMAssay Description:Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50286777(CHEMBL4160401)
Affinity DataIC50: >1.60E+4nMAssay Description:Antagonist activity at mAChR M3 in human CCRF-CEM cells assessed as inhibition of acetylcholine-mediated calcium flux incubated for 25 mins followed ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed