Compile Data Set for Download or QSAR

Found 1079 hits with Last Name = 'lewin' and Initial = 'ah'   

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 (Rattus norvegicus (rat))	BDBM50052170 ((S)-3-(4-Chloro-phenyl)-8-methyl-2-(3-phenyl-[1,2,...) Show SMILES CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3| Show InChI InChI=1S/C22H22ClN3O/c1-26-17-11-12-19(26)20(18(13-17)14-7-9-16(23)10-8-14)22-24-21(25-27-22)15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3/t17?,18?,19?,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Ability to inhibit [3H]dopamine uptake into rat striatal synaptosomes				J Med Chem 39: 2753-63 (1996) Article DOI: 10.1021/jm960160e BindingDB Entry DOI: 10.7270/Q2N87BDF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50010195 ((3S,5R)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]- 5-HT uptake in Serotonin transporter using serotonin uptake assay in rat midbrain tissue				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50010195 ((3S,5R)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake by rat striatal dopamine transporter				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to 5HT2C receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50052176 ((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(3-phenyl-i...) Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3| Show InChI InChI=1S/C23H23ClN2O/c1-26-18-11-12-21(26)23(19(13-18)15-7-9-17(24)10-8-15)22-14-20(25-27-22)16-5-3-2-4-6-16/h2-10,14,18-19,21,23H,11-13H2,1H3/t18-,19?,21?,23+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Ability to inhibit [3H]dopamine uptake into rat striatal synaptosomes				J Med Chem 39: 2753-63 (1996) Article DOI: 10.1021/jm960160e BindingDB Entry DOI: 10.7270/Q2N87BDF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM21342 ((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12| Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human A549 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50035725 (3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct...) Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:13:12:20:8.9,THB:4:6:20:8.9| Show InChI InChI=1S/C18H24INO2/c1-11(2)22-18(21)17-15(12-4-6-13(19)7-5-12)10-14-8-9-16(17)20(14)3/h4-7,11,14-17H,8-10H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake by rat striatal dopamine transporter				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM21342 ((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12| Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human HEK293 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM21342 ((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12| Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor expressed in human A549 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50035738 ((R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake by rat striatal dopamine transporter				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM21342 ((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12| Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]INBMeO from human 5HT2A receptor expressed in human A549 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50035738 ((R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]- 5-HT uptake in Serotonin transporter using serotonin uptake assay in rat midbrain tissue				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50052152 ((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo...) Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3| Show InChI InChI=1S/C21H22ClNO2/c1-23-16-11-12-19(23)20(21(24)25-17-5-3-2-4-6-17)18(13-16)14-7-9-15(22)10-8-14/h2-10,16,18-20H,11-13H2,1H3/t16-,18?,19?,20+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Ability to inhibition uptake of [2H]-Dopamine				J Med Chem 39: 2753-63 (1996) Article DOI: 10.1021/jm960160e BindingDB Entry DOI: 10.7270/Q2N87BDF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50033127 (3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...) Show SMILES CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3| Show InChI InChI=1S/C21H22ClNO2/c1-23-16-11-12-19(23)20(21(24)25-17-5-3-2-4-6-17)18(13-16)14-7-9-15(22)10-8-14/h2-10,16,18-20H,11-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake by rat striatal dopamine transporter				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50035738 ((R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]NE uptake by rat frontal cortex Norepinephrine transporter				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50035726 (3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...) Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:13:12:20:8.9,THB:4:6:20:8.9| Show InChI InChI=1S/C18H24ClNO2/c1-11(2)22-18(21)17-15(12-4-6-13(19)7-5-12)10-14-8-9-16(17)20(14)3/h4-7,11,14-17H,8-10H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake by rat striatal dopamine transporter				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50035752 (3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct...) Show SMILES CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3| Show InChI InChI=1S/C21H22INO2/c1-23-16-11-12-19(23)20(21(24)25-17-5-3-2-4-6-17)18(13-16)14-7-9-15(22)10-8-14/h2-10,16,18-20H,11-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake by rat striatal dopamine transporter				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50035729 (8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane | 8-...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake by rat striatal dopamine transporter				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50010195 ((3S,5R)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]NE uptake by rat frontal cortex Norepinephrine transporter				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50035729 (8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane | 8-...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]NE uptake by rat frontal cortex Norepinephrine transporter				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50035746 (8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-ca...) Show SMILES CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3| Show InChI InChI=1S/C22H25NO2/c1-15-8-10-16(11-9-15)19-14-17-12-13-20(23(17)2)21(19)22(24)25-18-6-4-3-5-7-18/h3-11,17,19-21H,12-14H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake by rat striatal dopamine transporter				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50016900 ((E)-N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-...) Show SMILES CN(C)CCCSc1ccccc1NC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human HEK293 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50035725 (3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct...) Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:13:12:20:8.9,THB:4:6:20:8.9| Show InChI InChI=1S/C18H24INO2/c1-11(2)22-18(21)17-15(12-4-6-13(19)7-5-12)10-14-8-9-16(17)20(14)3/h4-7,11,14-17H,8-10H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Ratio of Ki value towards Serotonin transporter to that of dopamine transporter				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human HEK293 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]INBMeO from human 5HT2A receptor expressed in human HEK293 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50035751 (8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-ca...) Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:4:6:20:8.9,13:12:20:8.9| Show InChI InChI=1S/C19H27NO2/c1-12(2)22-19(21)18-16(14-7-5-13(3)6-8-14)11-15-9-10-17(18)20(15)4/h5-8,12,15-18H,9-11H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake by rat striatal dopamine transporter				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50016900 ((E)-N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-...) Show SMILES CN(C)CCCSc1ccccc1NC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human A549 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50052163 ((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(5-phenyl-[...) Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nnc(o1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3| Show InChI InChI=1S/C22H22ClN3O/c1-26-17-11-12-19(26)20(18(13-17)14-7-9-16(23)10-8-14)22-25-24-21(27-22)15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3/t17-,18?,19?,20+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Ability to inhibit [3H]dopamine uptake into rat striatal synaptosomes				J Med Chem 39: 2753-63 (1996) Article DOI: 10.1021/jm960160e BindingDB Entry DOI: 10.7270/Q2N87BDF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50035729 (8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane | 8-...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]- 5-HT uptake in Serotonin transporter using serotonin uptake assay in rat midbrain tissue				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50052153 ((S)-3-(4-Chloro-phenyl)-8-methyl-2-(5-phenyl-oxazo...) Show SMILES CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1ncc(o1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3| Show InChI InChI=1S/C23H23ClN2O/c1-26-18-11-12-20(26)22(19(13-18)15-7-9-17(24)10-8-15)23-25-14-21(27-23)16-5-3-2-4-6-16/h2-10,14,18-20,22H,11-13H2,1H3/t18?,19?,20?,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Ability to inhibit [3H]dopamine uptake into rat striatal synaptosomes				J Med Chem 39: 2753-63 (1996) Article DOI: 10.1021/jm960160e BindingDB Entry DOI: 10.7270/Q2N87BDF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50016900 ((E)-N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-...) Show SMILES CN(C)CCCSc1ccccc1NC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]INBMeO from human 5HT2A receptor expressed in human HEK293 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50451132 (CHEMBL2079586 | WIN-35428) Show SMILES [H][C@@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(F)cc1)C(=O)OC)N2C |r,TLB:9:7:20:3.2,21:20:6.7.8:3.2,THB:16:6:20:3.2| Show InChI InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14-,15+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake by rat striatal dopamine transporter				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50016900 ((E)-N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-...) Show SMILES CN(C)CCCSc1ccccc1NC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]INBMeO from human 5HT2A receptor expressed in human A549 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]INBMeO from human 5HT2A receptor expressed in human A549 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human A549 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50035752 (3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct...) Show SMILES CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3| Show InChI InChI=1S/C21H22INO2/c1-23-16-11-12-19(23)20(21(24)25-17-5-3-2-4-6-17)18(13-16)14-7-9-15(22)10-8-14/h2-10,16,18-20H,11-13H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]NE uptake by rat frontal cortex Norepinephrine transporter				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50366564 (CHEMBL1790051 | CHEMBL83729 | WIN-35065-2) Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C |r,TLB:11:10:17:6.7,THB:2:4:17:6.7| Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14?,15+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]NE uptake by rat frontal cortex Norepinephrine transporter				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50451132 (CHEMBL2079586 | WIN-35428) Show SMILES [H][C@@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(F)cc1)C(=O)OC)N2C |r,TLB:9:7:20:3.2,21:20:6.7.8:3.2,THB:16:6:20:3.2| Show InChI InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14-,15+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]NE uptake by rat frontal cortex Norepinephrine transporter				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50035725 (3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct...) Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:13:12:20:8.9,THB:4:6:20:8.9| Show InChI InChI=1S/C18H24INO2/c1-11(2)22-18(21)17-15(12-4-6-13(19)7-5-12)10-14-8-9-16(17)20(14)3/h4-7,11,14-17H,8-10H2,1-3H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]NE uptake by rat frontal cortex Norepinephrine transporter				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50366564 (CHEMBL1790051 | CHEMBL83729 | WIN-35065-2) Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C |r,TLB:11:10:17:6.7,THB:2:4:17:6.7| Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14?,15+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake by rat striatal dopamine transporter				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50035752 (3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct...) Show SMILES CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3| Show InChI InChI=1S/C21H22INO2/c1-23-16-11-12-19(23)20(21(24)25-17-5-3-2-4-6-17)18(13-16)14-7-9-15(22)10-8-14/h2-10,16,18-20H,11-13H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]- 5-HT uptake in Serotonin transporter using serotonin uptake assay in rat midbrain tissue				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to 5HT6 receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50035751 (8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-ca...) Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:4:6:20:8.9,13:12:20:8.9| Show InChI InChI=1S/C19H27NO2/c1-12(2)22-19(21)18-16(14-7-5-13(3)6-8-14)11-15-9-10-17(18)20(15)4/h5-8,12,15-18H,9-11H2,1-4H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]NE uptake by rat frontal cortex Norepinephrine transporter				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50451132 (CHEMBL2079586 | WIN-35428) Show SMILES [H][C@@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(F)cc1)C(=O)OC)N2C |r,TLB:9:7:20:3.2,21:20:6.7.8:3.2,THB:16:6:20:3.2| Show InChI InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]- 5-HT uptake in Serotonin transporter using serotonin uptake assay in rat midbrain tissue				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	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 GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Ratio of Ki value towards Serotonin transporter to that of dopamine transporter				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human A549 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50035726 (3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...) Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:13:12:20:8.9,THB:4:6:20:8.9| Show InChI InChI=1S/C18H24ClNO2/c1-11(2)22-18(21)17-15(12-4-6-13(19)7-5-12)10-14-8-9-16(17)20(14)3/h4-7,11,14-17H,8-10H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]- 5-HT uptake in Serotonin transporter using serotonin uptake assay in rat midbrain tissue				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human HEK293 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]INBMeO from human 5HT2A receptor expressed in human HEK293 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair

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