BDBM50268313 2-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propan-2-ol::CHEMBL485870

SMILES CC(C)(O)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12

InChI Key InChIKey=KSWYJUIFHPSZOL-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50268313   

TargetSmoothened homolog(Mus musculus)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50268313(2-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]py...)
Affinity DataIC50:  5nMAssay Description:Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mous...More data for this Ligand-Target Pair
TargetSmoothened homolog(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50268313(2-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]py...)
Affinity DataIC50:  8nMAssay Description:Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from huma...More data for this Ligand-Target Pair
TargetSmoothened homolog(Mus musculus)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50268313(2-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]py...)
Affinity DataIC50:  35nMAssay Description:Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluo...More data for this Ligand-Target Pair
TargetSmoothened homolog(Mus musculus)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50268313(2-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]py...)
Affinity DataIC50:  2.70nMAssay Description:Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluor...More data for this Ligand-Target Pair