BDBM50156693 6-Methoxy-7-hydroxycoumarin::6-Methylesculetin::6-O-Methylesculetin::7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one::7-hydroxy-6-methoxy-2H-chromen-2-one::CHEMBL71851::scopoletin

SMILES: COc1cc2c(cc1O)OC(=O)C=C2

InChI Key: InChIKey=RODXRVNMMDRFIK-UHFFFAOYSA-N

Data: 7 KI  12 IC50

PDB links: 4 PDB IDs match this monomer.

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 19 hits for monomerid = 50156693   

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
Polyunsaturated fatty acid lipoxygenase ALOX15 (Rabbit)	BDBM50156693 (7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Mouse)	BDBM50156693 (7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.76E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Sorbitol dehydrogenase (Human)	BDBM50156693 (7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.37E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Aldo-keto reductase family 1 member B1 (Human)	BDBM50156693 (7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Electric eel)	BDBM50156693 (7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Prostaglandin G/H synthase 2 (Human)	BDBM50156693 (7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Polyunsaturated fatty acid 5-lipoxygenase (Human)	BDBM50156693 (7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Human)	BDBM50156693 (7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.69E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Glyceraldehyde-3-phosphate dehydrogenase (Human)	BDBM50156693 (7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.57E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Induced myeloid leukemia cell differentiation protein Mcl-1 (Human)	BDBM50156693 (7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Amine oxidase [flavin-containing] A (Human)	BDBM50156693 (7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...) 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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Amine oxidase [flavin-containing] B (Human)	BDBM50156693 (7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 9 (Human)	BDBM50156693 (7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...) Show SMILES Show InChI	GoogleScholar	UniChem		960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 12 (Human)	BDBM50156693 (7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...) Show SMILES Show InChI	GoogleScholar	UniChem		4.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 7 (Human)	BDBM50156693 (7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...) Show SMILES Show InChI	GoogleScholar	UniChem		8.71E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 1 (Human)	BDBM50156693 (7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...) Show SMILES Show InChI	GoogleScholar	UniChem		1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Induced myeloid leukemia cell differentiation protein Mcl-1 (Human)	BDBM50156693 (7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...) Show SMILES Show InChI	GoogleScholar	UniChem		1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 13 (Human)	BDBM50156693 (7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...) Show SMILES Show InChI	GoogleScholar	UniChem		1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 2 (Human)	BDBM50156693 (7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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