BDBM319585 US10174007, Example 4::US10787438, Example 4::US10988463, Example 4::US11634410, Example 4

SMILES: C[C@H]1CCN1c1nc(cc(n1)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1

InChI Key: InChIKey=MDUYWDNWFXSMJJ-UHFFFAOYSA-N

Data: 1 KI  37 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 39 hits for monomerid = 319585   

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
Ketohexokinase (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) 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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Cytochrome P450 2D6 (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) 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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Cytochrome P450 2C19 (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) 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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Cytochrome P450 2C9 (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) 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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Cytochrome P450 2C8 (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) 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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Cytochrome P450 2B6 (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) 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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Cytochrome P450 1A2 (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) 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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Ketohexokinase (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
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Ketohexokinase (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	28	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)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) 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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Ketohexokinase (Rat)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Ketohexokinase (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Ketohexokinase (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Ketohexokinase (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
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Sodium channel protein type 5 subunit alpha (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Ketohexokinase (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Ketohexokinase (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Ketohexokinase (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
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Ketohexokinase (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Ketohexokinase (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Ketohexokinase (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	37.3	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Ketohexokinase (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Ketohexokinase (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	14.2	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Ketohexokinase (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Ketohexokinase (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	37.3	n/a	n/a	n/a	n/a	n/a	n/a
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Isoform A of Ketohexokinase (Peripheral) (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Ketohexokinase (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	14.2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Ketohexokinase (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	14.2	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Ketohexokinase (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	37.3	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Isoform A of Ketohexokinase (Peripheral) (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Ketohexokinase (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	14.2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Ketohexokinase (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Ketohexokinase (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	37.3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Ketohexokinase (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Ketohexokinase (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	10.5	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Ketohexokinase (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
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cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Ketohexokinase (Human)	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES Show InChI	GoogleScholar	UniChem		4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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