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
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
Brookhaven National Laboratory
Curated by ChEMBL
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
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Brookhaven National Laboratory
Curated by ChEMBL
Brookhaven National Laboratory
Curated by ChEMBL
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
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Brookhaven National Laboratory
Curated by ChEMBL
Brookhaven National Laboratory
Curated by ChEMBL
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
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Brookhaven National Laboratory
Curated by ChEMBL
Brookhaven National Laboratory
Curated by ChEMBL
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
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Brookhaven National Laboratory
Curated by ChEMBL
Brookhaven National Laboratory
Curated by ChEMBL
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
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Brookhaven National Laboratory
Curated by ChEMBL
Brookhaven National Laboratory
Curated by ChEMBL
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