BDBM368199 (S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol::US10227334, Example 3

SMILES: CC1=C([C@@H](Oc2c1cc(cc2)O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c5)O

InChI Key: InChIKey=KJAAPZIFCQQQKX-UHFFFAOYSA-N

Data: 16 IC50

PDB links: 1 PDB ID matches 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 16 hits for monomerid = 368199   

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
Estrogen receptor (Human)	BDBM368199 ((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
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Sodium-dependent dopamine transporter (Human)	BDBM368199 ((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM368199 ((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...) 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
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Cytochrome P450 2C8 (Human)	BDBM368199 ((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C9 (Human)	BDBM368199 ((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C19 (Human)	BDBM368199 ((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...) 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
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Cytochrome P450 1A2 (Human)	BDBM368199 ((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...) 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
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Estrogen receptor (Human)	BDBM368199 ((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2D6 (Human)	BDBM368199 ((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...) 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
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Potassium voltage-gated channel subfamily H member 2 (Human)	BDBM368199 ((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Estrogen receptor (Human)	BDBM368199 ((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
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Estrogen receptor (Human)	BDBM368199 ((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
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Estrogen receptor (Human)	BDBM368199 ((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
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Estrogen receptor (Human)	BDBM368199 ((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
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Estrogen receptor (Human)	BDBM368199 ((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Estrogen receptor (Human)	BDBM368199 ((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
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