BDBM84745 CAS_136434-34-9::DULOXETINE::LY-248686::LY248686::USRE49340, Rank 5

SMILES: CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3

InChI Key: InChIKey=ZEUITGRIYCTCEM-UHFFFAOYSA-N

Data: 102 KI  61 IC50

PDB links: 3 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 163 hits for monomerid = 84745   

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
D-amino-acid oxidase (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 2 (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 4 (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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ATP-binding cassette sub-family C member 3 (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Bile salt export pump (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rat)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Cytochrome P450 3A4 (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Cytochrome P450 2C19 (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	515	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	977	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	515	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	977	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Human)	BDBM84745 (DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair