BDBM50100895 2-(4-(4-carbamimidoylphenoxy)phenyl)-1H-indole-6-carboximidamide::2-[4-(4-Carbamimidoyl-phenoxy)-phenyl]-1H-indole-6-carboxamidine::CHEMBL289577::NSC-240898

SMILES NC(=N)c1ccc(Oc2ccc(cc2)-c2cc3ccc(cc3[nH]2)C(N)=N)cc1

InChI Key InChIKey=OSSYTOVYXCAWPG-UHFFFAOYSA-N

Data  2 KI  7 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50100895   

TargetBotulinum neurotoxin type A(Clostridium botulinum)
University Of Belgrade

Curated by ChEMBL

LigandBDBM50100895(2-(4-(4-carbamimidoylphenoxy)phenyl)-1H-indole-6-c...)Copy SMILESCopy InChI

Affinity DataIC50:  2.62E+3nMAssay Description:Inhibition of Clostridium botulinum recombinant BoNT/A light chain using N-terminal acetylated, C-terminal aminated SNAP-25 (187-203) as substrate by...More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathway
UniProtKB/SwissProt
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Ligand InfoCHEMBLPC cidPC sidPDBPatentsSimilars

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