BDBM50524995 CHEMBL4593524::US11401286, Example 195

SMILES CCc1cc(Cc2ccc(CC(=O)NCCO)cc2)nc(n1)-c1cccc(Cl)c1

InChI Key InChIKey=NIRWNBPXDXMYJK-UHFFFAOYSA-N

Data  4 IC50

  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 4 hits for monomerid = 50524995   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Tetra Discovery Partners

Curated by ChEMBL
LigandPNGBDBM50524995(CHEMBL4593524 | US11401286, Example 195)
Affinity DataIC50:  3.10E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) by fluorescence-based assayMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsoform 7 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D(Homo sapiens (Human))
Tetra Discovery Partners

US Patent
LigandPNGBDBM50524995(CHEMBL4593524 | US11401286, Example 195)
Affinity DataIC50: <1.00E+3nMAssay Description:Assays are performed in 96-well plates in a total volume of 200 μl/well. Compounds are dissolved in dimethylsulfoxide (DMSO) and added to plates...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails US Patent
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B [S133D](Homo sapiens (Human))
Tetra Discovery Partners

US Patent
LigandPNGBDBM50524995(CHEMBL4593524 | US11401286, Example 195)
Affinity DataIC50: <1.00E+3nMAssay Description:Assays are performed in 96-well plates in a total volume of 200 μl/well. Compounds are dissolved in dimethylsulfoxide (DMSO) and added to plates...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails US Patent
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Homo sapiens (Human))
Tetra Discovery Partners

Curated by ChEMBL
LigandPNGBDBM50524995(CHEMBL4593524 | US11401286, Example 195)
Affinity DataIC50:  128nMAssay Description:Inhibition of recombinant human His6-tagged PDE4B1 UCR1 S133D mutant expressed in baculovirus infected Sf9 insect cells using cAMP as substrate prein...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails ArticlePubMed