BDBM50018282 CHEBI:79045::CHEMBL3290331

SMILES C[C@@H]1CN(CCN1c1ccc(cn1)C#N)c1nnc(Cc2ccccc2)c2ccc(Cl)cc12

InChI Key InChIKey=XUZUIICAPXZZDU-GOSISDBHSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50018282   

TargetSmoothened homolog(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50018282(CHEBI:79045 | CHEMBL3290331)
Affinity DataIC50:  440nMAssay Description:Antagonist activity at smoothened (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine-1-phosphate lyase 1(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50018282(CHEBI:79045 | CHEMBL3290331)
Affinity DataIC50:  210nMAssay Description:Inhibition of human recombinant S1PL (62 to 568) expressed in Sf9 insect cells using S1P as substrate after 1 hrMore data for this Ligand-Target Pair