Compile Data Set for Download or QSAR

Found 26 hits with Last Name = 'oatis' and Initial = 'je'   

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
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50008781 (7-(3-(2-ethyl-N-phenylhydrazinecarboxamide)-7-oxa-...) Show SMILES OC(=O)CCC\C=C/C[C@H]1[C@@H]2CCC(O2)[C@H]1CNNC(=O)Nc1ccccc1 Show InChI InChI=1S/C21H29N3O4/c25-20(26)11-7-2-1-6-10-16-17(19-13-12-18(16)28-19)14-22-24-21(27)23-15-8-4-3-5-9-15/h1,3-6,8-9,16-19,22H,2,7,10-14H2,(H,25,26)(H2,23,24,27)/b6-1-/t16-,17+,18+,19?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by PDSP Ki Database									J Pharmacol Exp Ther 251: 557-62 (1989) BindingDB Entry DOI: 10.7270/Q24Q7SGJ
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM81948 (CAS_89617-02-7 | ONO 11,113 | ONO-11113 | STA2) Show SMILES CCCCC[C@H](O)\C=C\C1C[C@H]2C[C@H](S2)[C@@H]1C\C=C/CCCC(O)=O |r| Show InChI InChI=1S/C21H34O3S/c1-2-3-6-9-17(22)13-12-16-14-18-15-20(25-18)19(16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16?,17-,18-,19+,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by PDSP Ki Database									J Pharmacol Exp Ther 251: 557-62 (1989) BindingDB Entry DOI: 10.7270/Q24Q7SGJ
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM81949 (9,11-AzoPGH2 | 9,11-azo PGH2 | J389.306E | PGH2, 9...) Show SMILES CCCCC[C@H](O)CC[C@@H]1[C@@H](CC=CCCCC(O)=O)c2cc1n[nH]2 |w:12.11,TLB:11:10:21:23.24,THB:8:9:21:23.24| Show InChI InChI=1S/C20H32N2O3/c1-2-3-6-9-15(23)12-13-17-16(18-14-19(17)22-21-18)10-7-4-5-8-11-20(24)25/h4,7,14-17,23H,2-3,5-6,8-13H2,1H3,(H,21,22)(H,24,25)/b7-4-/t15-,16+,17+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by PDSP Ki Database									J Pharmacol Exp Ther 251: 557-62 (1989) BindingDB Entry DOI: 10.7270/Q24Q7SGJ
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50018531 ((Z)-7-[(S)-6-((E)-(S)-3-Hydroxy-oct-1-enyl)-2-oxa-...) Show SMILES CCCCC[C@H](O)\C=C\C1[C@H]2C[C@H](CO2)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19?,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by PDSP Ki Database									J Pharmacol Exp Ther 251: 557-62 (1989) BindingDB Entry DOI: 10.7270/Q24Q7SGJ
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM81947 (CAS_113243-00-8 | L-657926) Show SMILES OC(=O)C[C@@H]1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccc(F)cc21 |r| Show InChI InChI=1S/C21H19ClFNO2/c22-15-6-4-13(5-7-15)12-24-19-9-8-16(23)11-18(19)17-3-1-2-14(21(17)24)10-20(25)26/h4-9,11,14H,1-3,10,12H2,(H,25,26)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	424	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by PDSP Ki Database									J Pharmacol Exp Ther 251: 557-62 (1989) BindingDB Entry DOI: 10.7270/Q24Q7SGJ
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM81947 (CAS_113243-00-8 | L-657926) Show SMILES OC(=O)C[C@@H]1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccc(F)cc21 |r| Show InChI InChI=1S/C21H19ClFNO2/c22-15-6-4-13(5-7-15)12-24-19-9-8-16(23)11-18(19)17-3-1-2-14(21(17)24)10-20(25)26/h4-9,11,14H,1-3,10,12H2,(H,25,26)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Binding affinity towards Thromboxane A2/ Prostaglandin H2 receptor in human platelet membranes using [125I]- as the radioligand.				J Med Chem 34: 1511-4 (1991) BindingDB Entry DOI: 10.7270/Q2B56KB7
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM81947 (CAS_113243-00-8 | L-657926) Show SMILES OC(=O)C[C@@H]1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccc(F)cc21 |r| Show InChI InChI=1S/C21H19ClFNO2/c22-15-6-4-13(5-7-15)12-24-19-9-8-16(23)11-18(19)17-3-1-2-14(21(17)24)10-20(25)26/h4-9,11,14H,1-3,10,12H2,(H,25,26)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11.2	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Binding affinity towards Thromboxane A2/ Prostaglandin H2 receptor in human platelet membranes using [125I]- as the radioligand.				J Med Chem 34: 1511-4 (1991) BindingDB Entry DOI: 10.7270/Q2B56KB7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.9	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake in HEK293 cells expressing human dopamine transporter				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50452544 (CHEMBL2448578) Show SMILES [H][C@]12CC[C@@]([H])(O1)[C@H](C\C=C/CCCC(O)=O)[C@@H]2CNNC(=O)Nc1ccccc1 |r,THB:18:17:6:2.3| Show InChI InChI=1S/C21H29N3O4/c25-20(26)11-7-2-1-6-10-16-17(19-13-12-18(16)28-19)14-22-24-21(27)23-15-8-4-3-5-9-15/h1,3-6,8-9,16-19,22H,2,7,10-14H2,(H,25,26)(H2,23,24,27)/b6-1-/t16-,17+,18-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Binding affinity towards Thromboxane A2 receptor/Prostaglandin receptor in human platelet membranes using [125I]- as the radioligand				J Med Chem 34: 1511-4 (1991) BindingDB Entry DOI: 10.7270/Q2B56KB7
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM82512 (CAS_128719-90-4 | I-BOP) Show SMILES O[C@@H](COc1ccc(I)cc1)\C=C\[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C\C=C/CCCC(O)=O |r,TLB:20:19:18:16.15,THB:12:13:18:16.15| Show InChI InChI=1S/C23H29IO5/c24-16-7-10-18(11-8-16)28-15-17(25)9-12-20-19(21-13-14-22(20)29-21)5-3-1-2-4-6-23(26)27/h1,3,7-12,17,19-22,25H,2,4-6,13-15H2,(H,26,27)/b3-1-,12-9+/t17-,19-,20-,21+,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Binding affinity towards Thromboxane A2 receptor/Prostaglandin receptor in human platelet membranes using [125I]- as the radioligand				J Med Chem 34: 1511-4 (1991) BindingDB Entry DOI: 10.7270/Q2B56KB7
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]norepinephrine uptake in HEK293 cells expressing human norepinephrine transporter				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50165211 ((2R,2'R)-Phenyl-piperidin-2-yl-acetic acid ethyl e...) Show SMILES CCOC(=O)C(C1CCCCN1)c1ccccc1 Show InChI InChI=1S/C15H21NO2/c1-2-18-15(17)14(12-8-4-3-5-9-12)13-10-6-7-11-16-13/h3-5,8-9,13-14,16H,2,6-7,10-11H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake in HEK293 cells expressing human dopamine transporter				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Displacement of [125I]-RTI-55 from Dopamine transporter expressed in HEK293 cells				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	289	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake in HEK293 cells expressing human dopamine transporter				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	289	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake in HEK293 cells expressing human serotonin transporter				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50165211 ((2R,2'R)-Phenyl-piperidin-2-yl-acetic acid ethyl e...) Show SMILES CCOC(=O)C(C1CCCCN1)c1ccccc1 Show InChI InChI=1S/C15H21NO2/c1-2-18-15(17)14(12-8-4-3-5-9-12)13-10-6-7-11-16-13/h3-5,8-9,13-14,16H,2,6-7,10-11H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	319	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Displacement of [125I]-RTI-55 from Dopamine transporter expressed in HEK293 cells				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	367	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Displacement of [125I]-RTI-55 from Dopamine transporter expressed in HEK293 cells				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	433	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human Serotonin transporter expressed in HEK293 cells				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	462	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]norepinephrine uptake in HEK293 cells expressing human norepinephrine transporter				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50165211 ((2R,2'R)-Phenyl-piperidin-2-yl-acetic acid ethyl e...) Show SMILES CCOC(=O)C(C1CCCCN1)c1ccccc1 Show InChI InChI=1S/C15H21NO2/c1-2-18-15(17)14(12-8-4-3-5-9-12)13-10-6-7-11-16-13/h3-5,8-9,13-14,16H,2,6-7,10-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]norepinephrine uptake in HEK293 cells expressing human norepinephrine transporter				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	788	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK293 cells				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK293 cells				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50165211 ((2R,2'R)-Phenyl-piperidin-2-yl-acetic acid ethyl e...) Show SMILES CCOC(=O)C(C1CCCCN1)c1ccccc1 Show InChI InChI=1S/C15H21NO2/c1-2-18-15(17)14(12-8-4-3-5-9-12)13-10-6-7-11-16-13/h3-5,8-9,13-14,16H,2,6-7,10-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
Medical University of South Carolina Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK293 cells				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50165211 ((2R,2'R)-Phenyl-piperidin-2-yl-acetic acid ethyl e...) Show SMILES CCOC(=O)C(C1CCCCN1)c1ccccc1 Show InChI InChI=1S/C15H21NO2/c1-2-18-15(17)14(12-8-4-3-5-9-12)13-10-6-7-11-16-13/h3-5,8-9,13-14,16H,2,6-7,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human Serotonin transporter expressed in HEK293 cells				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human Serotonin transporter expressed in HEK293 cells				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50165211 ((2R,2'R)-Phenyl-piperidin-2-yl-acetic acid ethyl e...) Show SMILES CCOC(=O)C(C1CCCCN1)c1ccccc1 Show InChI InChI=1S/C15H21NO2/c1-2-18-15(17)14(12-8-4-3-5-9-12)13-10-6-7-11-16-13/h3-5,8-9,13-14,16H,2,6-7,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake in HEK293 cells expressing human serotonin transporter				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair