BDBM50310823 CHEMBL1078442::bergamottin

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12

InChI Key: InChIKey=FTNPPMXJPRYUJC-UHFFFAOYSA-N

Data: 9 KI  2 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 12 hits for monomerid = 50310823   

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
Replicase polyprotein 1ab (2019-nCoV)	BDBM50310823 (bergamottin | CHEMBL1078442) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM50310823 (bergamottin | CHEMBL1078442) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Human)	BDBM50310823 (bergamottin | CHEMBL1078442) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Human)	BDBM50310823 (bergamottin | CHEMBL1078442) Show SMILES Show InChI	GoogleScholar	UniChem		700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2B1 (Rat)	BDBM50310823 (bergamottin | CHEMBL1078442) Show SMILES Show InChI	GoogleScholar	UniChem		2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2B4 (Rabbit)	BDBM50310823 (bergamottin | CHEMBL1078442) Show SMILES Show InChI	GoogleScholar	UniChem		2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2B6 (Human)	BDBM50310823 (bergamottin | CHEMBL1078442) Show SMILES Show InChI	GoogleScholar	UniChem		5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM50310823 (bergamottin | CHEMBL1078442) Show SMILES Show InChI	GoogleScholar	UniChem		7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A5 (Human)	BDBM50310823 (bergamottin | CHEMBL1078442) Show SMILES Show InChI	GoogleScholar	UniChem		2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Human)	BDBM50310823 (bergamottin | CHEMBL1078442) Show SMILES Show InChI	GoogleScholar	UniChem		3.48E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2E1 (Human)	BDBM50310823 (bergamottin | CHEMBL1078442) Show SMILES Show InChI	GoogleScholar	UniChem		4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 1B1 (Human)	BDBM50310823 (bergamottin | CHEMBL1078442) Show SMILES Show InChI	GoogleScholar	UniChem		5.87E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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