BDBM50349297 CHEMBL1808456::CHEMBL1813104

SMILES CS(=O)(=O)c1cc(Cl)c(NC(=O)N2CCn3c(C2)c(O)n([C@H]2C[C@@H]2c2ccccc2)c3=O)c(Cl)c1

InChI Key InChIKey=WTXGNYIYUYYEQU-QAPCUYQASA-N

Data  5 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 5 hits for monomerid = 50349297   

TargetSmoothened homolog(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50349297(CHEMBL1808456 | CHEMBL1813104)
Affinity DataIC50:  41nMAssay Description:Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSmoothened homolog(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50349297(CHEMBL1808456 | CHEMBL1813104)
Affinity DataIC50:  42nMAssay Description:Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSmoothened homolog(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50349297(CHEMBL1808456 | CHEMBL1813104)
Affinity DataIC50:  77nMAssay Description:Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSmoothened homolog(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50349297(CHEMBL1808456 | CHEMBL1813104)
Affinity DataIC50:  53nMAssay Description:Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSmoothened homolog(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50349297(CHEMBL1808456 | CHEMBL1813104)
Affinity DataIC50:  68nMAssay Description:Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed