BDBM50322521 (2S,3S)-2-(4-Methoxyphenyl)-3,5,5-trimethylmorpholin-2-ol::CHEMBL1173355

SMILES: COc1ccc(cc1)[C@]1(O)OCC(C)(C)N[C@H]1C

InChI Key: InChIKey=QAPDCFXYLMIQOK-IINYFYTJSA-N

Data: 7 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 7 hits for monomerid = 50322521   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50322521 ((2S,3S)-2-(4-Methoxyphenyl)-3,5,5-trimethylmorphol...) Show SMILES COc1ccc(cc1)[C@]1(O)OCC(C)(C)N[C@H]1C |r| Show InChI InChI=1S/C14H21NO3/c1-10-14(16,18-9-13(2,3)15-10)11-5-7-12(17-4)8-6-11/h5-8,10,15-16H,9H2,1-4H3/t10-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
Barrow Neurological Institute Curated by ChEMBL					Assay Description Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells after 90 mins by scintillation counting				J Med Chem 53: 4731-48 (2010) Article DOI: 10.1021/jm1003232 BindingDB Entry DOI: 10.7270/Q2CF9Q9N
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50322521 ((2S,3S)-2-(4-Methoxyphenyl)-3,5,5-trimethylmorphol...) Show SMILES COc1ccc(cc1)[C@]1(O)OCC(C)(C)N[C@H]1C |r| Show InChI InChI=1S/C14H21NO3/c1-10-14(16,18-9-13(2,3)15-10)11-5-7-12(17-4)8-6-11/h5-8,10,15-16H,9H2,1-4H3/t10-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
Barrow Neurological Institute Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells after 90 mins by scintillation counting				J Med Chem 53: 4731-48 (2010) Article DOI: 10.1021/jm1003232 BindingDB Entry DOI: 10.7270/Q2CF9Q9N
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha3/beta4 (Homo sapiens (Human))	BDBM50322521 ((2S,3S)-2-(4-Methoxyphenyl)-3,5,5-trimethylmorphol...) Show SMILES COc1ccc(cc1)[C@]1(O)OCC(C)(C)N[C@H]1C |r| Show InChI InChI=1S/C14H21NO3/c1-10-14(16,18-9-13(2,3)15-10)11-5-7-12(17-4)8-6-11/h5-8,10,15-16H,9H2,1-4H3/t10-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Barrow Neurological Institute Curated by ChEMBL					Assay Description Antagonist activity at alpha3beta4 nicotinic receptor in human SH-SY5Y cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx a...				J Med Chem 53: 4731-48 (2010) Article DOI: 10.1021/jm1003232 BindingDB Entry DOI: 10.7270/Q2CF9Q9N
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50322521 ((2S,3S)-2-(4-Methoxyphenyl)-3,5,5-trimethylmorphol...) Show SMILES COc1ccc(cc1)[C@]1(O)OCC(C)(C)N[C@H]1C |r| Show InChI InChI=1S/C14H21NO3/c1-10-14(16,18-9-13(2,3)15-10)11-5-7-12(17-4)8-6-11/h5-8,10,15-16H,9H2,1-4H3/t10-,14+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
Barrow Neurological Institute Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells after 90 mins by scintillation counting				J Med Chem 53: 4731-48 (2010) Article DOI: 10.1021/jm1003232 BindingDB Entry DOI: 10.7270/Q2CF9Q9N
					More data for this Ligand-Target Pair
Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain (Homo sapiens (Human))	BDBM50322521 ((2S,3S)-2-(4-Methoxyphenyl)-3,5,5-trimethylmorphol...) Show SMILES COc1ccc(cc1)[C@]1(O)OCC(C)(C)N[C@H]1C |r| Show InChI InChI=1S/C14H21NO3/c1-10-14(16,18-9-13(2,3)15-10)11-5-7-12(17-4)8-6-11/h5-8,10,15-16H,9H2,1-4H3/t10-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Barrow Neurological Institute Curated by ChEMBL					Assay Description Antagonist activity at alpha-1-beta-1-gamma-delta nicotinic receptor in human TE671 cells assessed as inhibition varbamylcholine-induced radiolabeled...				J Med Chem 53: 4731-48 (2010) Article DOI: 10.1021/jm1003232 BindingDB Entry DOI: 10.7270/Q2CF9Q9N
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit (Homo sapiens (Human))	BDBM50322521 ((2S,3S)-2-(4-Methoxyphenyl)-3,5,5-trimethylmorphol...) Show SMILES COc1ccc(cc1)[C@]1(O)OCC(C)(C)N[C@H]1C |r| Show InChI InChI=1S/C14H21NO3/c1-10-14(16,18-9-13(2,3)15-10)11-5-7-12(17-4)8-6-11/h5-8,10,15-16H,9H2,1-4H3/t10-,14+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Barrow Neurological Institute Curated by ChEMBL					Assay Description Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...				J Med Chem 53: 4731-48 (2010) Article DOI: 10.1021/jm1003232 BindingDB Entry DOI: 10.7270/Q2CF9Q9N
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50322521 ((2S,3S)-2-(4-Methoxyphenyl)-3,5,5-trimethylmorphol...) Show SMILES COc1ccc(cc1)[C@]1(O)OCC(C)(C)N[C@H]1C |r| Show InChI InChI=1S/C14H21NO3/c1-10-14(16,18-9-13(2,3)15-10)11-5-7-12(17-4)8-6-11/h5-8,10,15-16H,9H2,1-4H3/t10-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Barrow Neurological Institute Curated by ChEMBL					Assay Description Antagonist activity at alpha4beta2 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...				J Med Chem 53: 4731-48 (2010) Article DOI: 10.1021/jm1003232 BindingDB Entry DOI: 10.7270/Q2CF9Q9N
					More data for this Ligand-Target Pair