BDBM50232973 CHEMBL254129::CYCLOPAMINE

SMILES C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1

InChI Key InChIKey=QASFUMOKHFSJGL-UHFFFAOYSA-N

Data  1 KI  11 IC50  1 Kd  1 EC50

PDB links: 3 PDB IDs match this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50232973   

TargetSonic hedgehog protein(Mouse)
University of Leipzig

Curated by ChEMBL
LigandPNGBDBM50232973(CHEMBL254129 | CYCLOPAMINE)
Affinity DataIC50: 1.31E+3nMAssay Description:Inhibition of SHH in mouse Shh-Light2 cells after 48 hrs by Gli1 reporter gene assay in presence of SAGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed
TargetSonic hedgehog protein(Mouse)
University of Leipzig

Curated by ChEMBL
LigandPNGBDBM50232973(CHEMBL254129 | CYCLOPAMINE)
Affinity DataIC50: 300nMAssay Description:Inhibition of SHH pathway in mouse Shh Light2 cells after 40 hrs by Gli-dependent luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetSonic hedgehog protein(Mouse)
University of Leipzig

Curated by ChEMBL
LigandPNGBDBM50232973(CHEMBL254129 | CYCLOPAMINE)
Affinity DataIC50: 600nMAssay Description:Inhibition of N-terminal SHH activated pathway in mouse C3H10T1/2 cells assessed as SAG-induced cell differentiation by alkaline phosphatase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetSmoothened homolog(Human)
Duke University Medical Center

Curated by ChEMBL
LigandPNGBDBM50232973(CHEMBL254129 | CYCLOPAMINE)
Affinity DataKd:  12.4nMAssay Description:Binding affinity to wild type Smo expressed in U2OS cells by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSmoothened homolog(Mouse)
Duke University Medical Center

Curated by ChEMBL
LigandPNGBDBM50232973(CHEMBL254129 | CYCLOPAMINE)
Affinity DataIC50: 484nMAssay Description:Antagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase re...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSonic hedgehog protein(Mouse)
University of Leipzig

Curated by ChEMBL
LigandPNGBDBM50232973(CHEMBL254129 | CYCLOPAMINE)
Affinity DataEC50:  500nMAssay Description:Inhibition of SHH in mouse Shh Light2 cells by GLI-responsive firefly luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/23/2012
Entry Details Article
PubMed
TargetSmoothened homolog(Mouse)
Duke University Medical Center

Curated by ChEMBL
LigandPNGBDBM50232973(CHEMBL254129 | CYCLOPAMINE)
Affinity DataIC50: 1.20E+3nMAssay Description:Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSmoothened homolog(Human)
Duke University Medical Center

Curated by ChEMBL
LigandPNGBDBM50232973(CHEMBL254129 | CYCLOPAMINE)
Affinity DataIC50: 280nMAssay Description:Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSmoothened homolog(Mouse)
Duke University Medical Center

Curated by ChEMBL
LigandPNGBDBM50232973(CHEMBL254129 | CYCLOPAMINE)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activityMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSmoothened homolog(Mouse)
Duke University Medical Center

Curated by ChEMBL
LigandPNGBDBM50232973(CHEMBL254129 | CYCLOPAMINE)
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by B...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSonic hedgehog protein(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50232973(CHEMBL254129 | CYCLOPAMINE)
Affinity DataIC50: 600nMAssay Description:Inhibition of human Shh-induced mouse C3H10T1/2 cell differentiation after 48 hrs by alkaline phosphatase reporter assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetSmoothened homolog(Human)
Duke University Medical Center

Curated by ChEMBL
LigandPNGBDBM50232973(CHEMBL254129 | CYCLOPAMINE)
Affinity DataIC50: 300nMAssay Description:Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSmoothened homolog(Human)
Duke University Medical Center

Curated by ChEMBL
LigandPNGBDBM50232973(CHEMBL254129 | CYCLOPAMINE)
Affinity DataIC50: 64nMAssay Description:Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSmoothened homolog(Human)
Duke University Medical Center

Curated by ChEMBL
LigandPNGBDBM50232973(CHEMBL254129 | CYCLOPAMINE)
Affinity DataKi:  12.7nMAssay Description:Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)