BDBM23303 methyl (4R)-4-[(2S,5R,7S,9R,14R,15R,16S)-5,9,16-tris(acetyloxy)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoate::tris(acetyloxy)cholan-24-oate deriv., 8

SMILES: [H][C@@]12C[C@@H](CC[C@]1(C)C1C[C@H](OC(C)=O)[C@]3(C)[C@H](CCC3C1[C@@H](C2)OC(C)=O)[C@H](C)CCC(=O)OC)OC(C)=O

InChI Key: InChIKey=VTBGQCBIQJMJJZ-UHFFFAOYSA-N

Data: 1 Other

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 23303   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM23303 (methyl (4R)-4-[(2S,5R,7S,9R,14R,15R,16S)-5,9,16-tr...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.3	22
TBA									Citation and Details
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