BDBM50322532 (2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholin-2-ol::CHEMBL1172928

SMILES: C[C@H]1[C@@](OCC(N1)(C)C)(c2cccc(c2)Cl)O

InChI Key: InChIKey=RCOBKSKAZMVBHT-UHFFFAOYSA-N

Data: 13 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 13 hits for monomerid = 50322532   

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
Sodium-dependent noradrenaline transporter (Human)	BDBM50322532 ((2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sodium-dependent serotonin transporter (Human)	BDBM50322532 ((2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...) 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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Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Human)	BDBM50322532 ((2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholine receptor subunit alpha/beta/delta/gamma (Human)	BDBM50322532 ((2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Human)	BDBM50322532 ((2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Sodium-dependent dopamine transporter (Human)	BDBM50322532 ((2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...) 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
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-4 (Human)	BDBM50322532 ((2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.10E+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)	BDBM50322532 ((2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	220	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)	BDBM50322532 ((2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	100	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)	BDBM50322532 ((2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	387	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Human)	BDBM50322532 ((2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Human)	BDBM50322532 ((2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...) 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
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-4 (Human)	BDBM50322532 ((2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...) 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
TBA									Citation and Details
					More data for this Ligand-Target Pair