BDBM76798 (E)-1-[2,4-dihydroxy-3-[(2E)-6-hydroxy-3,7-dimethyl-octa-2,7-dienyl]phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one::(E)-1-[2,4-dihydroxy-3-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one::(E)-1-[2,4-dihydroxy-3-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one::(E)-1-[3-[(2E)-3,7-dimethyl-6-oxidanyl-octa-2,7-dienyl]-2,4-bis(oxidanyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one::MLS002472953::SMR001397061::cid_10409180::xanthoangelol B

SMILES: CC(=C)C(O)CC\C(C)=C\Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O

InChI Key: InChIKey=NCHZAFAGBAEJJJ-UHFFFAOYSA-N

Data: 1 KI  6 IC50  1 Kd

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 8 hits for monomerid = 76798   

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
Caspase-3 (Human)	BDBM76798 (xanthoangelol B | (E)-1-[3-[(2E)-3,7-dimethyl-6-ox...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Sentrin-specific protease 8 (Human)	BDBM76798 (xanthoangelol B | (E)-1-[3-[(2E)-3,7-dimethyl-6-ox...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Sentrin-specific protease 6 (Human)	BDBM76798 (xanthoangelol B | (E)-1-[3-[(2E)-3,7-dimethyl-6-ox...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM76798 (xanthoangelol B | (E)-1-[3-[(2E)-3,7-dimethyl-6-ox...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.39E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Histidine protein kinase SaeS (Staphylococcus aureus (strain NCTC 8325 / PS 47))	BDBM76798 (xanthoangelol B | (E)-1-[3-[(2E)-3,7-dimethyl-6-ox...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Histidine protein kinase SaeS (Staphylococcus aureus (strain NCTC 8325 / PS 47))	BDBM76798 (xanthoangelol B | (E)-1-[3-[(2E)-3,7-dimethyl-6-ox...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a
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Neuraminidase (Influenza A virus (strain A/Brevig Mission/1/1918 ...)	BDBM76798 (xanthoangelol B | (E)-1-[3-[(2E)-3,7-dimethyl-6-ox...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Neuraminidase (Influenza A virus (strain A/Brevig Mission/1/1918 ...)	BDBM76798 (xanthoangelol B | (E)-1-[3-[(2E)-3,7-dimethyl-6-ox...) Show SMILES Show InChI	GoogleScholar	UniChem		2.07E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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