BDBM50072284 (1S,2R,4aR,6aS,6bS,7R,9aS,10aS)-2-Acetoxy-1,4a,6a,10a-tetramethyl-7-(4-methyl-2-oxo-pent-3-enyl)-8-oxo-2,3,4,4a,4b,5,6,6a,6b,7,8,9a,10,10a,12,12a-hexadecahydro-1H-9-oxa-pentaleno[2,1-a]phenanthrene-1-carboxylic acid::CHEMBL457155::GR-133686

SMILES: [H][C@@]12[#6]-[#6][C@]3([#6])[C@@]4([H])[#6]-[#6][C@@]5([#6])[C@]6([H])[#6@@H](-[#6]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#8][C@@]6([H])[#6][C@]5([#6])[#6]4=[#6]-[#6][C@@]3([H])[C@]1([#6])[#6](=O)-[#8]2

InChI Key: InChIKey=NGRWSGCZGGUEEZ-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50072284   

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
Prothrombin (Human)	BDBM50072284 ((1S,2R,4aR,6aS,6bS,7R,9aS,10aS)-2-Acetoxy-1,4a,6a,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Serine protease 1 (Human)	BDBM50072284 ((1S,2R,4aR,6aS,6bS,7R,9aS,10aS)-2-Acetoxy-1,4a,6a,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
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Chymotrypsin-C (Human)	BDBM50072284 ((1S,2R,4aR,6aS,6bS,7R,9aS,10aS)-2-Acetoxy-1,4a,6a,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
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Coagulation factor X (Human)	BDBM50072284 ((1S,2R,4aR,6aS,6bS,7R,9aS,10aS)-2-Acetoxy-1,4a,6a,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Neutrophil elastase (Human)	BDBM50072284 ((1S,2R,4aR,6aS,6bS,7R,9aS,10aS)-2-Acetoxy-1,4a,6a,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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