BDBM50518702 CHEMBL4576513

SMILES Cc1nc2sc3c(NCc4ccco4)nn(C)c3c2c(C)c1Cl

InChI Key InChIKey=QSHHLNMXSMWTEI-UHFFFAOYSA-N

Data  2 IC50  1 EC50

  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 3 hits for monomerid = 50518702   

TargetCytochrome P450 1A2(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518702(CHEMBL4576513)
Affinity DataIC50: <100nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518702(CHEMBL4576513)
Affinity DataEC50:  120nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518702(CHEMBL4576513)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed