BDBM50129806 CHEMBL3627987

SMILES [H][C@]1(NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCNC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@H](C)O

InChI Key InChIKey=IUWLAPVMXODHTM-UWLXSEQGSA-N

Data  6 KI

  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 6 hits for monomerid = 50129806   

TargetBotulinum neurotoxin type A(Clostridium botulinum)
Brookhaven National Laboratory

Curated by ChEMBL
LigandPNGBDBM50129806(CHEMBL3627987)
Affinity DataKi:  12nMAssay Description:Inhibition of Clostridium botulinum BoNT/A light chain 448 residue preincubated for 30 mins by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Brookhaven National Laboratory

Curated by ChEMBL
LigandPNGBDBM50129806(CHEMBL3627987)
Affinity DataKi:  26nMAssay Description:Inhibition of Clostridium botulinum BoNT/A light chain 448 residue coincubated with TCEP for 30 mins and TCEP absent during reaction by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Brookhaven National Laboratory

Curated by ChEMBL
LigandPNGBDBM50129806(CHEMBL3627987)
Affinity DataKi:  39nMAssay Description:Inhibition of Clostridium botulinum truncated-BoNT/A light chain 424 residue preincubated for 30 mins by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Brookhaven National Laboratory

Curated by ChEMBL
LigandPNGBDBM50129806(CHEMBL3627987)
Affinity DataKi:  46nMAssay Description:Inhibition of Clostridium botulinum BoNT/A light chain 448 residue coincubated with TCEP for 60 mins and TCEP absent during reaction by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Brookhaven National Laboratory

Curated by ChEMBL
LigandPNGBDBM50129806(CHEMBL3627987)
Affinity DataKi:  157nMAssay Description:Inhibition of Clostridium botulinum BoNT/A light chain 448 residue coincubated with TCEP for 30 mins and TCEP present during reaction by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Brookhaven National Laboratory

Curated by ChEMBL
LigandPNGBDBM50129806(CHEMBL3627987)
Affinity DataKi:  162nMAssay Description:Inhibition of Clostridium botulinum BoNT/A light chain 448 residue coincubated with TCEP for 60 mins and TCEP present during reaction by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed