BDBM50249181 CHEMBL473392::N-(4-chlorobenzyl)-2-((2R,6S,E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl)acetamide::N-(4-chlorobenzyl)-2-((2R,6S,E)-5,12-dioxo-2-phenyl-1-oxo-4-azacyclododec-8-en-6-yl)acetamide::Robotnikinin

SMILES Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)O[C@@H](CNC2=O)c2ccccc2)cc1

InChI Key InChIKey=DRDSZZCLAHXSAE-BQIDRLATSA-N

Data  2 IC50  4 Kd  2 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 8 hits for monomerid = 50249181   

TargetSonic hedgehog protein(Homo sapiens (Human))
Massachusetts General Hospital

Curated by ChEMBL
LigandPNGBDBM50249181(CHEMBL473392 | N-(4-chlorobenzyl)-2-((2R,6S,E)-5,1...)
Affinity DataKd:  3.10E+3nMAssay Description:Binding affinity to recombinant Shh N-terminal peptide by surface plasma resonanceMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSonic hedgehog protein(Mus musculus (Mouse))
Massachusetts General Hospital

Curated by ChEMBL
LigandPNGBDBM50249181(CHEMBL473392 | N-(4-chlorobenzyl)-2-((2R,6S,E)-5,1...)
Affinity DataEC50:  4.00E+3nMAssay Description:Inhibition of SHH in mouse Shh Light2 cells after 30 hrs by GLI-responsive bright glo luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSonic hedgehog protein(Homo sapiens (Human))
Massachusetts General Hospital

Curated by ChEMBL
LigandPNGBDBM50249181(CHEMBL473392 | N-(4-chlorobenzyl)-2-((2R,6S,E)-5,1...)
Affinity DataKd:  3.10E+3nMAssay Description:Binding affinity to N-terminal Shh by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSonic hedgehog protein(Homo sapiens (Human))
Massachusetts General Hospital

Curated by ChEMBL
LigandPNGBDBM50249181(CHEMBL473392 | N-(4-chlorobenzyl)-2-((2R,6S,E)-5,1...)
Affinity DataKd:  3.10E+3nMAssay Description:Binding affinity to N-terminal sonic hedgehog (unknown origin) by surface plasmon resonance analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSonic hedgehog protein(Mus musculus (Mouse))
Massachusetts General Hospital

Curated by ChEMBL
LigandPNGBDBM50249181(CHEMBL473392 | N-(4-chlorobenzyl)-2-((2R,6S,E)-5,1...)
Affinity DataEC50:  4.00E+3nMAssay Description:Inhibition of sonic hedgehog pathway in mouse NIH-3T3 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSonic hedgehog protein(Homo sapiens (Human))
Massachusetts General Hospital

Curated by ChEMBL
LigandPNGBDBM50249181(CHEMBL473392 | N-(4-chlorobenzyl)-2-((2R,6S,E)-5,1...)
Affinity DataIC50: >2.50E+4nMAssay 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 DepthDetails ArticlePubMed
TargetSonic hedgehog protein(Mus musculus (Mouse))
Massachusetts General Hospital

Curated by ChEMBL
LigandPNGBDBM50249181(CHEMBL473392 | N-(4-chlorobenzyl)-2-((2R,6S,E)-5,1...)
Affinity DataIC50:  4.00E+3nMAssay Description:Inhibition of sonic hedgehog signaling in mouse Shh Light2 cells after 30 mins by Bright-Glo luciferase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSonic hedgehog protein(Homo sapiens (Human))
Massachusetts General Hospital

Curated by ChEMBL
LigandPNGBDBM50249181(CHEMBL473392 | N-(4-chlorobenzyl)-2-((2R,6S,E)-5,1...)
Affinity DataKd:  3.10E+3nMAssay Description:Binding affinity to SHHMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed