Compile Data Set for Download or QSAR

Found 54 hits Enz. Inhib. hit(s) with all data for entry = 50033196   

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 dopamine transporter (Homo sapiens (Human))	BDBM50322512 ((2S,3S)-2-(3-Chlorophenyl)-5,5-dimethyl-3-propyl-m...) Show SMILES CCC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C15H22ClNO2/c1-4-6-13-15(18,19-10-14(2,3)17-13)11-7-5-8-12(16)9-11/h5,7-9,13,17-18H,4,6,10H2,1-3H3/t13-,15-/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	6	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))	BDBM50322512 ((2S,3S)-2-(3-Chlorophenyl)-5,5-dimethyl-3-propyl-m...) Show SMILES CCC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C15H22ClNO2/c1-4-6-13-15(18,19-10-14(2,3)17-13)11-7-5-8-12(16)9-11/h5,7-9,13,17-18H,4,6,10H2,1-3H3/t13-,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	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 noradrenaline transporter (Homo sapiens (Human))	BDBM50341208 ((S,S)-2-(3'-Chlorophenyl)-3,5,5-trimethyl-4-propyl...) Show SMILES CCCN1[C@@H](C)[C@@](O)(OCC1(C)C)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C16H24ClNO2/c1-5-9-18-12(2)16(19,20-11-15(18,3)4)13-7-6-8-14(17)10-13/h6-8,10,12,19H,5,9,11H2,1-4H3/t12-,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	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 noradrenaline transporter (Homo sapiens (Human))	BDBM50322513 ((2S,3S)-2-(3-Chlorophenyl)-3-ethyl-5,5-dimethylmor...) Show SMILES CC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C14H20ClNO2/c1-4-12-14(17,18-9-13(2,3)16-12)10-6-5-7-11(15)8-10/h5-8,12,16-17H,4,9H2,1-3H3/t12-,14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	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))	BDBM50322513 ((2S,3S)-2-(3-Chlorophenyl)-3-ethyl-5,5-dimethylmor...) Show SMILES CC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C14H20ClNO2/c1-4-12-14(17,18-9-13(2,3)16-12)10-6-5-7-11(15)8-10/h5-8,12,16-17H,4,9H2,1-3H3/t12-,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	23	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))	BDBM50341207 ((S,S)-2-(3'-Chlorophenyl)-4-ethyl-3,5,5-trimethylm...) Show SMILES CCN1[C@@H](C)[C@@](O)(OCC1(C)C)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C15H22ClNO2/c1-5-17-11(2)15(18,19-10-14(17,3)4)12-7-6-8-13(16)9-12/h6-9,11,18H,5,10H2,1-4H3/t11-,15+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	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 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))	BDBM50341207 ((S,S)-2-(3'-Chlorophenyl)-4-ethyl-3,5,5-trimethylm...) Show SMILES CCN1[C@@H](C)[C@@](O)(OCC1(C)C)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C15H22ClNO2/c1-5-17-11(2)15(18,19-10-14(17,3)4)12-7-6-8-13(16)9-12/h6-9,11,18H,5,10H2,1-4H3/t11-,15+/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	44	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 dopamine transporter (Homo sapiens (Human))	BDBM50322528 ((2S,3S)-2-(3-Bromophenyl)-3,5,5-trimethylmorpholin...) Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Br)c1 |r| Show InChI InChI=1S/C13H18BrNO2/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	44	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 dopamine transporter (Homo sapiens (Human))	BDBM50341208 ((S,S)-2-(3'-Chlorophenyl)-3,5,5-trimethyl-4-propyl...) Show SMILES CCCN1[C@@H](C)[C@@](O)(OCC1(C)C)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C16H24ClNO2/c1-5-9-18-12(2)16(19,20-11-15(18,3)4)13-7-6-8-14(17)10-13/h6-8,10,12,19H,5,9,11H2,1-4H3/t12-,16+/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 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 serotonin transporter (Homo sapiens (Human))	BDBM50322531 ((2R,3R)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES C[C@H]1NC(C)(C)CO[C@]1(O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C13H18ClNO2/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+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>100	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
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50322532 ((2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C13H18ClNO2/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	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	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 noradrenaline transporter (Homo sapiens (Human))	BDBM50322528 ((2S,3S)-2-(3-Bromophenyl)-3,5,5-trimethylmorpholin...) Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Br)c1 |r| Show InChI InChI=1S/C13H18BrNO2/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	150	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 noradrenaline transporter (Homo sapiens (Human))	BDBM50322511 ((2S,3S)-2-(3-Chlorophenyl)-3,4,5,5-tetramethylmorp...) Show SMILES C[C@@H]1N(C)C(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C14H20ClNO2/c1-10-14(17,11-6-5-7-12(15)8-11)18-9-13(2,3)16(10)4/h5-8,10,17H,9H2,1-4H3/t10-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	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))	BDBM50322532 ((2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C13H18ClNO2/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	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	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 dopamine transporter (Homo sapiens (Human))	BDBM50322511 ((2S,3S)-2-(3-Chlorophenyl)-3,4,5,5-tetramethylmorp...) Show SMILES C[C@@H]1N(C)C(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C14H20ClNO2/c1-10-14(17,11-6-5-7-12(15)8-11)18-9-13(2,3)16(10)4/h5-8,10,17H,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	230	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 serotonin transporter (Homo sapiens (Human))	BDBM50322512 ((2S,3S)-2-(3-Chlorophenyl)-5,5-dimethyl-3-propyl-m...) Show SMILES CCC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C15H22ClNO2/c1-4-6-13-15(18,19-10-14(2,3)17-13)11-7-5-8-12(16)9-11/h5,7-9,13,17-18H,4,6,10H2,1-3H3/t13-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50322532 ((2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C13H18ClNO2/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	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	387	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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50322528 ((2S,3S)-2-(3-Bromophenyl)-3,5,5-trimethylmorpholin...) Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Br)c1 |r| Show InChI InChI=1S/C13H18BrNO2/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	390	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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50322511 ((2S,3S)-2-(3-Chlorophenyl)-3,4,5,5-tetramethylmorp...) Show SMILES C[C@@H]1N(C)C(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C14H20ClNO2/c1-10-14(17,11-6-5-7-12(15)8-11)18-9-13(2,3)16(10)4/h5-8,10,17H,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	540	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))	BDBM50341207 ((S,S)-2-(3'-Chlorophenyl)-4-ethyl-3,5,5-trimethylm...) Show SMILES CCN1[C@@H](C)[C@@](O)(OCC1(C)C)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C15H22ClNO2/c1-5-17-11(2)15(18,19-10-14(17,3)4)12-7-6-8-13(16)9-12/h6-9,11,18H,5,10H2,1-4H3/t11-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	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))	BDBM50341208 ((S,S)-2-(3'-Chlorophenyl)-3,5,5-trimethyl-4-propyl...) Show SMILES CCCN1[C@@H](C)[C@@](O)(OCC1(C)C)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C16H24ClNO2/c1-5-9-18-12(2)16(19,20-11-15(18,3)4)13-7-6-8-14(17)10-13/h6-8,10,12,19H,5,9,11H2,1-4H3/t12-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	980	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
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50322531 ((2R,3R)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES C[C@H]1NC(C)(C)CO[C@]1(O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C13H18ClNO2/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+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	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
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50322528 ((2S,3S)-2-(3-Bromophenyl)-3,5,5-trimethylmorpholin...) Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Br)c1 |r| Show InChI InChI=1S/C13H18BrNO2/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	1.40E+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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50341207 ((S,S)-2-(3'-Chlorophenyl)-4-ethyl-3,5,5-trimethylm...) Show SMILES CCN1[C@@H](C)[C@@](O)(OCC1(C)C)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C15H22ClNO2/c1-5-17-11(2)15(18,19-10-14(17,3)4)12-7-6-8-13(16)9-12/h6-9,11,18H,5,10H2,1-4H3/t11-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+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
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50322531 ((2R,3R)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES C[C@H]1NC(C)(C)CO[C@]1(O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C13H18ClNO2/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+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of human 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
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50322531 ((2R,3R)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES C[C@H]1NC(C)(C)CO[C@]1(O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C13H18ClNO2/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+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50322513 ((2S,3S)-2-(3-Chlorophenyl)-3-ethyl-5,5-dimethylmor...) Show SMILES CC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C14H20ClNO2/c1-4-12-14(17,18-9-13(2,3)16-12)10-6-5-7-11(15)8-10/h5-8,12,16-17H,4,9H2,1-3H3/t12-,14-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+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))	BDBM50322511 ((2S,3S)-2-(3-Chlorophenyl)-3,4,5,5-tetramethylmorp...) Show SMILES C[C@@H]1N(C)C(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C14H20ClNO2/c1-10-14(17,11-6-5-7-12(15)8-11)18-9-13(2,3)16(10)4/h5-8,10,17H,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	2.80E+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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50341208 ((S,S)-2-(3'-Chlorophenyl)-3,5,5-trimethyl-4-propyl...) Show SMILES CCCN1[C@@H](C)[C@@](O)(OCC1(C)C)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C16H24ClNO2/c1-5-9-18-12(2)16(19,20-11-15(18,3)4)13-7-6-8-14(17)10-13/h6-8,10,12,19H,5,9,11H2,1-4H3/t12-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+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))	BDBM50322512 ((2S,3S)-2-(3-Chlorophenyl)-5,5-dimethyl-3-propyl-m...) Show SMILES CCC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C15H22ClNO2/c1-4-6-13-15(18,19-10-14(2,3)17-13)11-7-5-8-12(16)9-11/h5,7-9,13,17-18H,4,6,10H2,1-3H3/t13-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+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))	BDBM50322532 ((2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C13H18ClNO2/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	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30E+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
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))	BDBM50322513 ((2S,3S)-2-(3-Chlorophenyl)-3-ethyl-5,5-dimethylmor...) Show SMILES CC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C14H20ClNO2/c1-4-12-14(17,18-9-13(2,3)16-12)10-6-5-7-11(15)8-10/h5-8,12,16-17H,4,9H2,1-3H3/t12-,14-/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	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-4/beta-4 (Homo sapiens (Human))	BDBM50341208 ((S,S)-2-(3'-Chlorophenyl)-3,5,5-trimethyl-4-propyl...) Show SMILES CCCN1[C@@H](C)[C@@](O)(OCC1(C)C)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C16H24ClNO2/c1-5-9-18-12(2)16(19,20-11-15(18,3)4)13-7-6-8-14(17)10-13/h6-8,10,12,19H,5,9,11H2,1-4H3/t12-,16+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+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 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))	BDBM50341207 ((S,S)-2-(3'-Chlorophenyl)-4-ethyl-3,5,5-trimethylm...) Show SMILES CCN1[C@@H](C)[C@@](O)(OCC1(C)C)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C15H22ClNO2/c1-5-17-11(2)15(18,19-10-14(17,3)4)12-7-6-8-13(16)9-12/h6-9,11,18H,5,10H2,1-4H3/t11-,15+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+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 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-2 (Homo sapiens (Human))	BDBM50341207 ((S,S)-2-(3'-Chlorophenyl)-4-ethyl-3,5,5-trimethylm...) Show SMILES CCN1[C@@H](C)[C@@](O)(OCC1(C)C)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C15H22ClNO2/c1-5-17-11(2)15(18,19-10-14(17,3)4)12-7-6-8-13(16)9-12/h6-9,11,18H,5,10H2,1-4H3/t11-,15+/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	7.20E+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 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))	BDBM50322512 ((2S,3S)-2-(3-Chlorophenyl)-5,5-dimethyl-3-propyl-m...) Show SMILES CCC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C15H22ClNO2/c1-4-6-13-15(18,19-10-14(2,3)17-13)11-7-5-8-12(16)9-11/h5,7-9,13,17-18H,4,6,10H2,1-3H3/t13-,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+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 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-2 (Homo sapiens (Human))	BDBM50322512 ((2S,3S)-2-(3-Chlorophenyl)-5,5-dimethyl-3-propyl-m...) Show SMILES CCC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C15H22ClNO2/c1-4-6-13-15(18,19-10-14(2,3)17-13)11-7-5-8-12(16)9-11/h5,7-9,13,17-18H,4,6,10H2,1-3H3/t13-,15-/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	9.50E+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 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))	BDBM50322528 ((2S,3S)-2-(3-Bromophenyl)-3,5,5-trimethylmorpholin...) Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Br)c1 |r| Show InChI InChI=1S/C13H18BrNO2/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	1.10E+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-2 (Homo sapiens (Human))	BDBM50341208 ((S,S)-2-(3'-Chlorophenyl)-3,5,5-trimethyl-4-propyl...) Show SMILES CCCN1[C@@H](C)[C@@](O)(OCC1(C)C)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C16H24ClNO2/c1-5-9-18-12(2)16(19,20-11-15(18,3)4)13-7-6-8-14(17)10-13/h6-8,10,12,19H,5,9,11H2,1-4H3/t12-,16+/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	1.20E+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-2 (Homo sapiens (Human))	BDBM50322528 ((2S,3S)-2-(3-Bromophenyl)-3,5,5-trimethylmorpholin...) Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Br)c1 |r| Show InChI InChI=1S/C13H18BrNO2/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	1.20E+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))	BDBM50322531 ((2R,3R)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES C[C@H]1NC(C)(C)CO[C@]1(O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C13H18ClNO2/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+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+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-2 (Homo sapiens (Human))	BDBM50322513 ((2S,3S)-2-(3-Chlorophenyl)-3-ethyl-5,5-dimethylmor...) Show SMILES CC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C14H20ClNO2/c1-4-12-14(17,18-9-13(2,3)16-12)10-6-5-7-11(15)8-10/h5-8,12,16-17H,4,9H2,1-3H3/t12-,14-/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	1.40E+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))	BDBM50322513 ((2S,3S)-2-(3-Chlorophenyl)-3-ethyl-5,5-dimethylmor...) Show SMILES CC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C14H20ClNO2/c1-4-12-14(17,18-9-13(2,3)16-12)10-6-5-7-11(15)8-10/h5-8,12,16-17H,4,9H2,1-3H3/t12-,14-/m0/s1	PDB 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
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-2 (Homo sapiens (Human))	BDBM50322511 ((2S,3S)-2-(3-Chlorophenyl)-3,4,5,5-tetramethylmorp...) Show SMILES C[C@@H]1N(C)C(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C14H20ClNO2/c1-10-14(17,11-6-5-7-12(15)8-11)18-9-13(2,3)16(10)4/h5-8,10,17H,9H2,1-4H3/t10-,14+/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	1.60E+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-2 (Homo sapiens (Human))	BDBM50322531 ((2R,3R)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES C[C@H]1NC(C)(C)CO[C@]1(O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C13H18ClNO2/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+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+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-2 (Homo sapiens (Human))	BDBM50322532 ((2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...) Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C13H18ClNO2/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	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+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

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