Compile Data Set for Download or QSAR

Found 13 hits of ic50 for monomerid = 50322529   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50322529 ((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(F)c1 |r| Show InChI InChI=1S/C13H18FNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of human NET in HEK293 cells assessed as inhibition of [3H]norepinephrine uptake				J Med Chem 54: 1441-8 (2011) Article DOI: 10.1021/jm1014555 BindingDB Entry DOI: 10.7270/Q2WW7HZ2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50322529 ((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(F)c1 |r| Show InChI InChI=1S/C13H18FNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/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	61	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of human DAT in HEK293 cells assessed as inhibition of [3H]dopamine uptake				J Med Chem 54: 1441-8 (2011) Article DOI: 10.1021/jm1014555 BindingDB Entry DOI: 10.7270/Q2WW7HZ2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50322529 ((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(F)c1 |r| Show InChI InChI=1S/C13H18FNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50322529 ((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(F)c1 |r| Show InChI InChI=1S/C13H18FNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	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
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50322529 ((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(F)c1 |r| Show InChI InChI=1S/C13H18FNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/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	1.38E+3	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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50322529 ((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(F)c1 |r| Show InChI InChI=1S/C13H18FNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of human SERT in HEK293 cells assessed as inhibition of [3H]serotonin uptake				J Med Chem 54: 1441-8 (2011) Article DOI: 10.1021/jm1014555 BindingDB Entry DOI: 10.7270/Q2WW7HZ2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50322529 ((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(F)c1 |r| Show InChI InChI=1S/C13H18FNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at human alpha3beta4 nAChR in HEK293 cells assessed as inhibition of carbamylcholine-induced radiolabeled Rb ion efflux				J Med Chem 54: 1441-8 (2011) Article DOI: 10.1021/jm1014555 BindingDB Entry DOI: 10.7270/Q2WW7HZ2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50322529 ((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(F)c1 |r| Show InChI InChI=1S/C13H18FNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50322529 ((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(F)c1 |r| Show InChI InChI=1S/C13H18FNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nAChR in HEK293 cells assessed as inhibition of carbamylcholine-induced radiolabeled Rb ion efflux				J Med Chem 54: 1441-8 (2011) Article DOI: 10.1021/jm1014555 BindingDB Entry DOI: 10.7270/Q2WW7HZ2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-4 (Homo sapiens (Human))	BDBM50322529 ((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(F)c1 |r| Show InChI InChI=1S/C13H18FNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta4 nAChR in HEK293 cells assessed as inhibition of carbamylcholine-induced radiolabeled Rb ion efflux				J Med Chem 54: 1441-8 (2011) Article DOI: 10.1021/jm1014555 BindingDB Entry DOI: 10.7270/Q2WW7HZ2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-4 (Homo sapiens (Human))	BDBM50322529 ((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(F)c1 |r| Show InChI InChI=1S/C13H18FNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50322529 ((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(F)c1 |r| Show InChI InChI=1S/C13H18FNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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
Acetylcholine receptor subunit alpha/beta/delta/gamma (Homo sapiens (Human))	BDBM50322529 ((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(F)c1 |r| Show InChI InChI=1S/C13H18FNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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