Compile Data Set for Download or QSAR

Found 1563 hits with Last Name = 'johnson' and Initial = 'km'   

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 serotonin transporter (Rattus norvegicus (rat))	BDBM50111036 (Benzoic acid 9-(3-chloro-4-iodo-benzylidene)-7-aza...) Show SMILES Clc1cc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)ccc1I |TLB:13:12:5.6:8.24,THB:10:11:5.6:8.24| Show InChI InChI=1S/C24H23ClINO2/c25-21-11-15(6-8-22(21)26)10-17-13-27-18-7-9-23(27)20(19(17)12-18)14-29-24(28)16-4-2-1-3-5-16/h1-6,8,10-11,18-20,23H,7,9,12-14H2/b17-10+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of high affinity re-uptake of [3H]5-HT (serotonin) into nerve ending synaptosomes				J Med Chem 45: 1930-41 (2002) BindingDB Entry DOI: 10.7270/Q2M32WHG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50111036 (Benzoic acid 9-(3-chloro-4-iodo-benzylidene)-7-aza...) Show SMILES Clc1cc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)ccc1I |TLB:13:12:5.6:8.24,THB:10:11:5.6:8.24| Show InChI InChI=1S/C24H23ClINO2/c25-21-11-15(6-8-22(21)26)10-17-13-27-18-7-9-23(27)20(19(17)12-18)14-29-24(28)16-4-2-1-3-5-16/h1-6,8,10-11,18-20,23H,7,9,12-14H2/b17-10+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake at serotonin transporter in rat mid brain				Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50111035 (Benzoic acid 9-(4-iodo-benzylidene)-7-aza-tricyclo...) Show SMILES Ic1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)cc1 |TLB:14:13:6.7:9.25,THB:11:12:6.7:9.25| Show InChI InChI=1S/C24H24INO2/c25-19-8-6-16(7-9-19)12-18-14-26-20-10-11-23(26)22(21(18)13-20)15-28-24(27)17-4-2-1-3-5-17/h1-9,12,20-23H,10-11,13-15H2/b18-12+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake at serotonin transporter in rat mid brain				Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50111035 (Benzoic acid 9-(4-iodo-benzylidene)-7-aza-tricyclo...) Show SMILES Ic1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)cc1 |TLB:14:13:6.7:9.25,THB:11:12:6.7:9.25| Show InChI InChI=1S/C24H24INO2/c25-19-8-6-16(7-9-19)12-18-14-26-20-10-11-23(26)22(21(18)13-20)15-28-24(27)17-4-2-1-3-5-17/h1-9,12,20-23H,10-11,13-15H2/b18-12+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of high affinity re-uptake of [3H]5-HT (serotonin) into nerve ending synaptosomes				J Med Chem 45: 1930-41 (2002) BindingDB Entry DOI: 10.7270/Q2M32WHG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50112273 (Benzoic acid 9-naphthalen-2-ylmethylene-7-aza-tric...) Show SMILES O=C(OCC1C2CCC3CC1\C(CN23)=C\c1ccc2ccccc2c1)c1ccccc1 |TLB:6:5:11.12:8.9,THB:3:4:11.12:8.9| Show InChI InChI=1S/C28H27NO2/c30-28(21-7-2-1-3-8-21)31-18-26-25-16-24-12-13-27(26)29(24)17-23(25)15-19-10-11-20-6-4-5-9-22(20)14-19/h1-11,14-15,24-27H,12-13,16-18H2/b23-15+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of high affinity re-uptake of [3H]5-HT (serotonin) into nerve ending synaptosomes				J Med Chem 45: 1930-41 (2002) BindingDB Entry DOI: 10.7270/Q2M32WHG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50032539 ((2S,3S)-3-(4-Chloro-phenyl)-8-methyl-2-((Z)-styryl...) Show SMILES CN1C2CCC1[C@@H](\C=C/c1ccccc1)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,0:1:6.15.16:4.3| Show InChI InChI=1S/C22H24ClN/c1-24-19-12-14-22(24)20(13-7-16-5-3-2-4-6-16)21(15-19)17-8-10-18(23)11-9-17/h2-11,13,19-22H,12,14-15H2,1H3/b13-7-/t19?,20-,21+,22?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]-mazindol as radioligand in rat striatal membranes.				J Med Chem 38: 3086-93 (1995) BindingDB Entry DOI: 10.7270/Q2KS6S69
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50004167 ((2R,3S)-3-(4-Chloro-phenyl)-2-((E)-2-chloro-vinyl)...) Show SMILES CN1C2CCC1[C@@H](\C=C\Cl)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,THB:12:10:1:4.3,0:1:6.10.11:4.3| Show InChI InChI=1S/C16H19Cl2N/c1-19-13-6-7-16(19)14(8-9-17)15(10-13)11-2-4-12(18)5-3-11/h2-5,8-9,13-16H,6-7,10H2,1H3/b9-8+/t13?,14-,15+,16?/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding constant for the ability to displace [3H]mazindol to dopamine receptor was calculated from the Cheng-Prusoff relationship				Bioorg Med Chem Lett 3: 1327-1332 (1993) Article DOI: 10.1016/S0960-894X(00)80341-8 BindingDB Entry DOI: 10.7270/Q2RJ4JZN
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50032536 ((2R,3S)-3-(4-Chloro-phenyl)-2-((Z)-2-chloro-vinyl)...) Show SMILES CN1C2CCC1[C@@H](\C=C/Cl)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,0:1:6.10.11:4.3| Show InChI InChI=1S/C16H19Cl2N/c1-19-13-6-7-16(19)14(8-9-17)15(10-13)11-2-4-12(18)5-3-11/h2-5,8-9,13-16H,6-7,10H2,1H3/b9-8-/t13?,14-,15+,16?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]-mazindol as radioligand in rat striatal membranes.				J Med Chem 38: 3086-93 (1995) BindingDB Entry DOI: 10.7270/Q2KS6S69
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50181745 (3-[(2-methyl-4-thiazolyl)ethynyl]benzonitrile | CH...) Show SMILES Cc1nc(cs1)C#Cc1cccc(c1)C#N Show InChI InChI=1S/C13H8N2S/c1-10-15-13(9-16-10)6-5-11-3-2-4-12(7-11)8-14/h2-4,7,9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from mGluR5 in rat brain membranes				J Med Chem 49: 1080-100 (2006) Article DOI: 10.1021/jm050570f BindingDB Entry DOI: 10.7270/Q27S7NC5
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50032539 ((2S,3S)-3-(4-Chloro-phenyl)-8-methyl-2-((Z)-styryl...) Show SMILES CN1C2CCC1[C@@H](\C=C/c1ccccc1)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,0:1:6.15.16:4.3| Show InChI InChI=1S/C22H24ClN/c1-24-19-12-14-22(24)20(13-7-16-5-3-2-4-6-16)21(15-19)17-8-10-18(23)11-9-17/h2-11,13,19-22H,12,14-15H2,1H3/b13-7-/t19?,20-,21+,22?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine binding to rat striatal synaptosome dopamine transporter				J Med Chem 38: 3086-93 (1995) BindingDB Entry DOI: 10.7270/Q2KS6S69
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50032534 ((2S,3S)-3-(4-Chloro-phenyl)-8-methyl-2-((E)-styryl...) Show SMILES CN1C2CCC1[C@@H](\C=C\c1ccccc1)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,0:1:6.15.16:4.3| Show InChI InChI=1S/C22H24ClN/c1-24-19-12-14-22(24)20(13-7-16-5-3-2-4-6-16)21(15-19)17-8-10-18(23)11-9-17/h2-11,13,19-22H,12,14-15H2,1H3/b13-7+/t19?,20-,21+,22?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]-mazindol as radioligand in rat striatal membranes.				J Med Chem 38: 3086-93 (1995) BindingDB Entry DOI: 10.7270/Q2KS6S69
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50095128 ((3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...) Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)[C@@H]2CN(C)CC[C@H]2c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C34H40Cl2N4O2/c1-39-17-15-29(25-7-11-27(35)12-8-25)31(21-39)33(41)37-19-23-3-5-24(6-4-23)20-38-34(42)32-22-40(2)18-16-30(32)26-9-13-28(36)14-10-26/h3-14,29-32H,15-22H2,1-2H3,(H,37,41)(H,38,42)/t29-,30-,31+,32+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-5-HT uptake into rat synaptosomes by Serotonin transporter				Bioorg Med Chem Lett 10: 2741-3 (2000) BindingDB Entry DOI: 10.7270/Q2KK9B1R
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50181745 (3-[(2-methyl-4-thiazolyl)ethynyl]benzonitrile | CH...) Show SMILES Cc1nc(cs1)C#Cc1cccc(c1)C#N Show InChI InChI=1S/C13H8N2S/c1-10-15-13(9-16-10)6-5-11-3-2-4-12(7-11)8-14/h2-4,7,9H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from cloned human mGluR5 transfected in HEK293-T cells				J Med Chem 49: 1080-100 (2006) Article DOI: 10.1021/jm050570f BindingDB Entry DOI: 10.7270/Q27S7NC5
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50004167 ((2R,3S)-3-(4-Chloro-phenyl)-2-((E)-2-chloro-vinyl)...) Show SMILES CN1C2CCC1[C@@H](\C=C\Cl)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,THB:12:10:1:4.3,0:1:6.10.11:4.3| Show InChI InChI=1S/C16H19Cl2N/c1-19-13-6-7-16(19)14(8-9-17)15(10-13)11-2-4-12(18)5-3-11/h2-5,8-9,13-16H,6-7,10H2,1H3/b9-8+/t13?,14-,15+,16?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]-mazindol as radioligand in rat striatal membranes.				J Med Chem 38: 3086-93 (1995) BindingDB Entry DOI: 10.7270/Q2KS6S69
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50088336 (9-(3,4-Dichloro-benzylidene)-7-aza-tricyclo[4.3.1....) Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7| Show InChI InChI=1S/C18H19Cl2NO2/c1-23-18(22)17-13-8-12-3-5-16(17)21(12)9-11(13)6-10-2-4-14(19)15(20)7-10/h2,4,6-7,12-13,16-17H,3,5,8-9H2,1H3/b11-6+/t12-,13-,16?,17-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity using [125I]RTI-55 as a radioligand in HEK-hSERT cells expressing human serotonin transporter				J Med Chem 43: 2064-71 (2000) BindingDB Entry DOI: 10.7270/Q2GX4C8X
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50156056 (CHEMBL188143 | [4-(4-Chloro-phenyl)-piperidin-3-yl...) Show SMILES COC(=O)CSCC1CNCCC1c1ccc(Cl)cc1 Show InChI InChI=1S/C15H20ClNO2S/c1-19-15(18)10-20-9-12-8-17-7-6-14(12)11-2-4-13(16)5-3-11/h2-5,12,14,17H,6-10H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Acenta Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand				J Med Chem 47: 5821-4 (2004) Article DOI: 10.1021/jm040117o BindingDB Entry DOI: 10.7270/Q2Q81DVF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50004169 ((2S,3S)-3-(4-Chloro-phenyl)-8-methyl-2-vinyl-8-aza...) Show SMILES CN1C2CCC1[C@@H](C=C)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,THB:11:9:1:4.3,0:1:6.9.10:4.3| Show InChI InChI=1S/C16H20ClN/c1-3-14-15(11-4-6-12(17)7-5-11)10-13-8-9-16(14)18(13)2/h3-7,13-16H,1,8-10H2,2H3/t13?,14-,15+,16?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]-mazindol as radioligand in rat striatal membranes.				J Med Chem 38: 3086-93 (1995) BindingDB Entry DOI: 10.7270/Q2KS6S69
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50032534 ((2S,3S)-3-(4-Chloro-phenyl)-8-methyl-2-((E)-styryl...) Show SMILES CN1C2CCC1[C@@H](\C=C\c1ccccc1)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,0:1:6.15.16:4.3| Show InChI InChI=1S/C22H24ClN/c1-24-19-12-14-22(24)20(13-7-16-5-3-2-4-6-16)21(15-19)17-8-10-18(23)11-9-17/h2-11,13,19-22H,12,14-15H2,1H3/b13-7+/t19?,20-,21+,22?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine binding to rat striatal synaptosome dopamine transporter				J Med Chem 38: 3086-93 (1995) BindingDB Entry DOI: 10.7270/Q2KS6S69
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50156052 (2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmeth...) Show SMILES CN1CCC(C(CSCC(=O)N2CCCCC2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H29ClN2OS/c1-22-12-9-19(16-5-7-18(21)8-6-16)17(13-22)14-25-15-20(24)23-10-3-2-4-11-23/h5-8,17,19H,2-4,9-15H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Acenta Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand				J Med Chem 47: 5821-4 (2004) Article DOI: 10.1021/jm040117o BindingDB Entry DOI: 10.7270/Q2Q81DVF
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50181753 (3-[(2-methyl-4-thiazolyl)ethynyl]-5-vinylpyridine ...) Show SMILES Cc1nc(cs1)C#Cc1cncc(C=C)c1 Show InChI InChI=1S/C13H10N2S/c1-3-11-6-12(8-14-7-11)4-5-13-9-16-10(2)15-13/h3,6-9H,1H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from mGluR5 in rat brain membranes				J Med Chem 49: 1080-100 (2006) Article DOI: 10.1021/jm050570f BindingDB Entry DOI: 10.7270/Q27S7NC5
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50156036 (2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmeth...) Show SMILES CC(C)NC(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1 Show InChI InChI=1S/C18H27ClN2OS/c1-13(2)20-18(22)12-23-11-15-10-21(3)9-8-17(15)14-4-6-16(19)7-5-14/h4-7,13,15,17H,8-12H2,1-3H3,(H,20,22)	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Acenta Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand				J Med Chem 47: 5821-4 (2004) Article DOI: 10.1021/jm040117o BindingDB Entry DOI: 10.7270/Q2Q81DVF
					More data for this Ligand-Target Pair
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	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]-mazindol as radioligand in rat striatal membranes.				J Med Chem 38: 3086-93 (1995) BindingDB Entry DOI: 10.7270/Q2KS6S69
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50032538 ((2S,3S)-2-Butyl-3-(4-chloro-phenyl)-8-methyl-8-aza...) Show SMILES CCCC[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:19:18:10.4.9:6.7,THB:3:4:18:6.7| Show InChI InChI=1S/C18H26ClN/c1-3-4-5-16-17(13-6-8-14(19)9-7-13)12-15-10-11-18(16)20(15)2/h6-9,15-18H,3-5,10-12H2,1-2H3/t15?,16-,17+,18?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine binding to rat striatal synaptosome dopamine transporter				J Med Chem 38: 3086-93 (1995) BindingDB Entry DOI: 10.7270/Q2KS6S69
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50004167 ((2R,3S)-3-(4-Chloro-phenyl)-2-((E)-2-chloro-vinyl)...) Show SMILES CN1C2CCC1[C@@H](\C=C\Cl)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,THB:12:10:1:4.3,0:1:6.10.11:4.3| Show InChI InChI=1S/C16H19Cl2N/c1-19-13-6-7-16(19)14(8-9-17)15(10-13)11-2-4-12(18)5-3-11/h2-5,8-9,13-16H,6-7,10H2,1H3/b9-8+/t13?,14-,15+,16?/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding constant for [3H]dopamine uptake was calculated from the Cheng-Prusoff relationship				Bioorg Med Chem Lett 3: 1327-1332 (1993) Article DOI: 10.1016/S0960-894X(00)80341-8 BindingDB Entry DOI: 10.7270/Q2RJ4JZN
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50032536 ((2R,3S)-3-(4-Chloro-phenyl)-2-((Z)-2-chloro-vinyl)...) Show SMILES CN1C2CCC1[C@@H](\C=C/Cl)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,0:1:6.10.11:4.3| Show InChI InChI=1S/C16H19Cl2N/c1-19-13-6-7-16(19)14(8-9-17)15(10-13)11-2-4-12(18)5-3-11/h2-5,8-9,13-16H,6-7,10H2,1H3/b9-8-/t13?,14-,15+,16?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine binding to rat striatal synaptosome dopamine transporter				J Med Chem 38: 3086-93 (1995) BindingDB Entry DOI: 10.7270/Q2KS6S69
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50032532 ((2S,3S)-3-(4-Chloro-phenyl)-8-methyl-2-propyl-8-az...) Show SMILES CCC[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:18:17:9.3.8:5.6,THB:2:3:17:5.6| Show InChI InChI=1S/C17H24ClN/c1-3-4-15-16(12-5-7-13(18)8-6-12)11-14-9-10-17(15)19(14)2/h5-8,14-17H,3-4,9-11H2,1-2H3/t14?,15-,16+,17?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]-mazindol as radioligand in rat striatal membranes.				J Med Chem 38: 3086-93 (1995) BindingDB Entry DOI: 10.7270/Q2KS6S69
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50156042 (2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmeth...) Show SMILES CN1CCC(C(CSCCO)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H22ClNOS/c1-17-7-6-15(12-2-4-14(16)5-3-12)13(10-17)11-19-9-8-18/h2-5,13,15,18H,6-11H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Acenta Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand				J Med Chem 47: 5821-4 (2004) Article DOI: 10.1021/jm040117o BindingDB Entry DOI: 10.7270/Q2Q81DVF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50083623 ((3R,8R)-8-Phenethyl-2-phenyl-3-p-tolyl-8-aza-bicyc...) Show SMILES Cc1ccc(cc1)[C@@H]1CC2CCC(C1c1ccccc1)N2CCc1ccccc1 |TLB:4:7:20:11.10,THB:14:13:20:11.10| Show InChI InChI=1S/C28H31N/c1-21-12-14-23(15-13-21)26-20-25-16-17-27(28(26)24-10-6-3-7-11-24)29(25)19-18-22-8-4-2-5-9-22/h2-15,25-28H,16-20H2,1H3/t25?,26-,27?,28?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]mazindol from cocaine binding site on Dopamine transporter (DAT)				Bioorg Med Chem Lett 9: 3325-8 (2000) BindingDB Entry DOI: 10.7270/Q2RB754D
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50156036 (2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmeth...) Show SMILES CC(C)NC(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1 Show InChI InChI=1S/C18H27ClN2OS/c1-13(2)20-18(22)12-23-11-15-10-21(3)9-8-17(15)14-4-6-16(19)7-5-14/h4-7,13,15,17H,8-12H2,1-3H3,(H,20,22)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Acenta Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of high affinity uptake by the dopamine transporter from rat synaptosomal nerve endings by using [3H]DA as radioligand				J Med Chem 47: 5821-4 (2004) Article DOI: 10.1021/jm040117o BindingDB Entry DOI: 10.7270/Q2Q81DVF
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50181753 (3-[(2-methyl-4-thiazolyl)ethynyl]-5-vinylpyridine ...) Show SMILES Cc1nc(cs1)C#Cc1cncc(C=C)c1 Show InChI InChI=1S/C13H10N2S/c1-3-11-6-12(8-14-7-11)4-5-13-9-16-10(2)15-13/h3,6-9H,1H2,2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from cloned human mGluR5 transfected in HEK293-T cells				J Med Chem 49: 1080-100 (2006) Article DOI: 10.1021/jm050570f BindingDB Entry DOI: 10.7270/Q27S7NC5
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50156036 (2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmeth...) Show SMILES CC(C)NC(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1 Show InChI InChI=1S/C18H27ClN2OS/c1-13(2)20-18(22)12-23-11-15-10-21(3)9-8-17(15)14-4-6-16(19)7-5-14/h4-7,13,15,17H,8-12H2,1-3H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Acenta Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of high affinity uptake by the serotonin transporter (5-HT) from rat synaptosomal nerve endings by using [3H]5-HT as radioligand				J Med Chem 47: 5821-4 (2004) Article DOI: 10.1021/jm040117o BindingDB Entry DOI: 10.7270/Q2Q81DVF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50068477 ((2S,8S)-8-Methyl-2-propyl-3-p-tolyl-8-aza-bicyclo[...) Show SMILES CCC[C@@H]1C2CCC(CC1c1ccc(C)cc1)N2C |TLB:18:17:9.3.8:5.6,THB:10:9:17:5.6,2:3:17:5.6| Show InChI InChI=1S/C18H27N/c1-4-5-16-17(14-8-6-13(2)7-9-14)12-15-10-11-18(16)19(15)3/h6-9,15-18H,4-5,10-12H2,1-3H3/t15?,16-,17?,18?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity for [3H]DA (Dopamine transporter) uptake by striated synaptosomes				J Med Chem 41: 4973-82 (1999) Article DOI: 10.1021/jm9802564 BindingDB Entry DOI: 10.7270/Q29S1RQ7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50032532 ((2S,3S)-3-(4-Chloro-phenyl)-8-methyl-2-propyl-8-az...) Show SMILES CCC[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:18:17:9.3.8:5.6,THB:2:3:17:5.6| Show InChI InChI=1S/C17H24ClN/c1-3-4-15-16(12-5-7-13(18)8-6-12)11-14-9-10-17(15)19(14)2/h5-8,14-17H,3-4,9-11H2,1-2H3/t14?,15-,16+,17?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine binding to rat striatal synaptosome dopamine transporter				J Med Chem 38: 3086-93 (1995) BindingDB Entry DOI: 10.7270/Q2KS6S69
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50004167 ((2R,3S)-3-(4-Chloro-phenyl)-2-((E)-2-chloro-vinyl)...) Show SMILES CN1C2CCC1[C@@H](\C=C\Cl)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,THB:12:10:1:4.3,0:1:6.10.11:4.3| Show InChI InChI=1S/C16H19Cl2N/c1-19-13-6-7-16(19)14(8-9-17)15(10-13)11-2-4-12(18)5-3-11/h2-5,8-9,13-16H,6-7,10H2,1H3/b9-8+/t13?,14-,15+,16?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine binding to rat striatal synaptosome dopamine transporter				J Med Chem 38: 3086-93 (1995) BindingDB Entry DOI: 10.7270/Q2KS6S69
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50095137 ((3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...) Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCCCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C31H42Cl2N4O2/c1-36-18-14-26(22-6-10-24(32)11-7-22)28(20-36)30(38)34-16-4-3-5-17-35-31(39)29-21-37(2)19-15-27(29)23-8-12-25(33)13-9-23/h6-13,26-29H,3-5,14-21H2,1-2H3,(H,34,38)(H,35,39)/t26-,27-,28+,29+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of high affinity serotonin uptake into rat synaptosomes using [3H]5-HT				J Med Chem 44: 1615-22 (2001) BindingDB Entry DOI: 10.7270/Q2513ZXB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50032538 ((2S,3S)-2-Butyl-3-(4-chloro-phenyl)-8-methyl-8-aza...) Show SMILES CCCC[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:19:18:10.4.9:6.7,THB:3:4:18:6.7| Show InChI InChI=1S/C18H26ClN/c1-3-4-5-16-17(13-6-8-14(19)9-7-13)12-15-10-11-18(16)20(15)2/h6-9,15-18H,3-5,10-12H2,1-2H3/t15?,16-,17+,18?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]-mazindol as radioligand in rat striatal membranes.				J Med Chem 38: 3086-93 (1995) BindingDB Entry DOI: 10.7270/Q2KS6S69
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50095137 ((3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...) Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCCCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C31H42Cl2N4O2/c1-36-18-14-26(22-6-10-24(32)11-7-22)28(20-36)30(38)34-16-4-3-5-17-35-31(39)29-21-37(2)19-15-27(29)23-8-12-25(33)13-9-23/h6-13,26-29H,3-5,14-21H2,1-2H3,(H,34,38)(H,35,39)/t26-,27-,28+,29+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-5-HT uptake into rat synaptosomes by Serotonin transporter				Bioorg Med Chem Lett 10: 2741-3 (2000) BindingDB Entry DOI: 10.7270/Q2KK9B1R
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50083617 ((3R,8R)-2,3-Bis-(4-fluoro-phenyl)-8-phenethyl-8-az...) Show SMILES Fc1ccc(cc1)[C@@H]1CC2CCC(C1c1ccc(F)cc1)N2CCc1ccccc1 |TLB:4:7:21:11.10,THB:14:13:21:11.10| Show InChI InChI=1S/C27H27F2N/c28-22-10-6-20(7-11-22)25-18-24-14-15-26(27(25)21-8-12-23(29)13-9-21)30(24)17-16-19-4-2-1-3-5-19/h1-13,24-27H,14-18H2/t24?,25-,26?,27?/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	>1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake at striatal nerve endings by serotonin transporter				Bioorg Med Chem Lett 9: 3325-8 (2000) BindingDB Entry DOI: 10.7270/Q2RB754D
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50068470 ((2S,8S)-2-Butyl-8-methyl-3-p-tolyl-8-aza-bicyclo[3...) Show SMILES CCCC[C@@H]1C2CCC(CC1c1ccc(C)cc1)N2C |TLB:19:18:10.4.9:6.7,THB:11:10:18:6.7,3:4:18:6.7| Show InChI InChI=1S/C19H29N/c1-4-5-6-17-18(15-9-7-14(2)8-10-15)13-16-11-12-19(17)20(16)3/h7-10,16-19H,4-6,11-13H2,1-3H3/t16?,17-,18?,19?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity for [3H]DA (Dopamine transporter) uptake by striated synaptosomes				J Med Chem 41: 4973-82 (1999) Article DOI: 10.1021/jm9802564 BindingDB Entry DOI: 10.7270/Q29S1RQ7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50111029 (Benzoic acid 9-[1-thiophen-2-yl-meth-(Z)-ylidene]-...) Show SMILES O=C(OCC1C2CCC3CC1\C(CN23)=C\c1cccs1)c1ccccc1 |TLB:3:4:11.12:8.9,6:5:11.12:8.9| Show InChI InChI=1S/C22H23NO2S/c24-22(15-5-2-1-3-6-15)25-14-20-19-12-17-8-9-21(20)23(17)13-16(19)11-18-7-4-10-26-18/h1-7,10-11,17,19-21H,8-9,12-14H2/b16-11+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake at serotonin transporter in rat mid brain				Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50032535 ((2S,3S)-3-(4-Chloro-phenyl)-8-methyl-2-phenethyl-8...) Show SMILES CN1C2CCC1[C@@H](CCc1ccccc1)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,0:1:6.15.16:4.3| Show InChI InChI=1S/C22H26ClN/c1-24-19-12-14-22(24)20(13-7-16-5-3-2-4-6-16)21(15-19)17-8-10-18(23)11-9-17/h2-6,8-11,19-22H,7,12-15H2,1H3/t19?,20-,21+,22?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine binding to rat striatal synaptosome dopamine transporter				J Med Chem 38: 3086-93 (1995) BindingDB Entry DOI: 10.7270/Q2KS6S69
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50032535 ((2S,3S)-3-(4-Chloro-phenyl)-8-methyl-2-phenethyl-8...) Show SMILES CN1C2CCC1[C@@H](CCc1ccccc1)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,0:1:6.15.16:4.3| Show InChI InChI=1S/C22H26ClN/c1-24-19-12-14-22(24)20(13-7-16-5-3-2-4-6-16)21(15-19)17-8-10-18(23)11-9-17/h2-6,8-11,19-22H,7,12-15H2,1H3/t19?,20-,21+,22?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]-mazindol as radioligand in rat striatal membranes.				J Med Chem 38: 3086-93 (1995) BindingDB Entry DOI: 10.7270/Q2KS6S69
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50083623 ((3R,8R)-8-Phenethyl-2-phenyl-3-p-tolyl-8-aza-bicyc...) Show SMILES Cc1ccc(cc1)[C@@H]1CC2CCC(C1c1ccccc1)N2CCc1ccccc1 |TLB:4:7:20:11.10,THB:14:13:20:11.10| Show InChI InChI=1S/C28H31N/c1-21-12-14-23(15-13-21)26-20-25-16-17-27(28(26)24-10-6-3-7-11-24)29(25)19-18-22-8-4-2-5-9-22/h2-15,25-28H,16-20H2,1H3/t25?,26-,27?,28?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at striatal nerve endings by dopamine transporter				Bioorg Med Chem Lett 9: 3325-8 (2000) BindingDB Entry DOI: 10.7270/Q2RB754D
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50112307 (Acetic acid 9-(3,4-dichloro-benzylidene)-7-aza-tri...) Show SMILES CC(=O)OCC1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:7:6:12.13:9.10,THB:4:5:12.13:9.10| Show InChI InChI=1S/C19H21Cl2NO2/c1-11(23)24-10-16-15-8-14-3-5-19(16)22(14)9-13(15)6-12-2-4-17(20)18(21)7-12/h2,4,6-7,14-16,19H,3,5,8-10H2,1H3/b13-6+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of high affinity re-uptake of [3H]5-HT (serotonin) into nerve ending synaptosomes				J Med Chem 45: 1930-41 (2002) BindingDB Entry DOI: 10.7270/Q2M32WHG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50068477 ((2S,8S)-8-Methyl-2-propyl-3-p-tolyl-8-aza-bicyclo[...) Show SMILES CCC[C@@H]1C2CCC(CC1c1ccc(C)cc1)N2C |TLB:18:17:9.3.8:5.6,THB:10:9:17:5.6,2:3:17:5.6| Show InChI InChI=1S/C18H27N/c1-4-5-16-17(14-8-6-13(2)7-9-14)12-15-10-11-18(16)19(15)3/h6-9,15-18H,4-5,10-12H2,1-3H3/t15?,16-,17?,18?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity of compound on dopamine transporters of rat striated membranes using [3H]- mazindol.				J Med Chem 41: 4973-82 (1999) Article DOI: 10.1021/jm9802564 BindingDB Entry DOI: 10.7270/Q29S1RQ7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50032537 ((2S,3S)-8-Methyl-3-phenyl-2-propyl-8-aza-bicyclo[3...) Show SMILES CCC[C@@H]1C2CCC(C[C@@H]1c1ccccc1)N2C |TLB:17:16:9.3.8:5.6,THB:2:3:16:5.6| Show InChI InChI=1S/C17H25N/c1-3-7-15-16(13-8-5-4-6-9-13)12-14-10-11-17(15)18(14)2/h4-6,8-9,14-17H,3,7,10-12H2,1-2H3/t14?,15-,16+,17?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine binding to rat striatal synaptosome dopamine transporter				J Med Chem 38: 3086-93 (1995) BindingDB Entry DOI: 10.7270/Q2KS6S69
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50068470 ((2S,8S)-2-Butyl-8-methyl-3-p-tolyl-8-aza-bicyclo[3...) Show SMILES CCCC[C@@H]1C2CCC(CC1c1ccc(C)cc1)N2C |TLB:19:18:10.4.9:6.7,THB:11:10:18:6.7,3:4:18:6.7| Show InChI InChI=1S/C19H29N/c1-4-5-6-17-18(15-9-7-14(2)8-10-15)13-16-11-12-19(17)20(16)3/h7-10,16-19H,4-6,11-13H2,1-3H3/t16?,17-,18?,19?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity of compound on dopamine transporters of rat striated membranes using [3H]- mazindol.				J Med Chem 41: 4973-82 (1999) Article DOI: 10.1021/jm9802564 BindingDB Entry DOI: 10.7270/Q29S1RQ7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50112301 (9-(3-Chloro-4-iodo-benzylidene)-7-aza-tricyclo[4.3...) Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(I)c(Cl)c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9| Show InChI InChI=1S/C18H19ClINO2/c1-23-18(22)17-13-8-12-3-5-16(17)21(12)9-11(13)6-10-2-4-15(20)14(19)7-10/h2,4,6-7,12-13,16-17H,3,5,8-9H2,1H3/b11-6+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of high affinity re-uptake of [3H]5-HT (serotonin) into nerve ending synaptosomes				J Med Chem 45: 1930-41 (2002) BindingDB Entry DOI: 10.7270/Q2M32WHG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50032537 ((2S,3S)-8-Methyl-3-phenyl-2-propyl-8-aza-bicyclo[3...) Show SMILES CCC[C@@H]1C2CCC(C[C@@H]1c1ccccc1)N2C |TLB:17:16:9.3.8:5.6,THB:2:3:16:5.6| Show InChI InChI=1S/C17H25N/c1-3-7-15-16(13-8-5-4-6-9-13)12-14-10-11-17(15)18(14)2/h4-6,8-9,14-17H,3,7,10-12H2,1-2H3/t14?,15-,16+,17?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]-mazindol as radioligand in rat striatal membranes.				J Med Chem 38: 3086-93 (1995) BindingDB Entry DOI: 10.7270/Q2KS6S69
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50112305 (Benzoic acid 9-(3-chloro-4-methyl-benzylidene)-7-a...) Show SMILES Cc1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)cc1Cl |TLB:14:13:6.7:9.25,THB:11:12:6.7:9.25| Show InChI InChI=1S/C25H26ClNO2/c1-16-7-8-17(12-23(16)26)11-19-14-27-20-9-10-24(27)22(21(19)13-20)15-29-25(28)18-5-3-2-4-6-18/h2-8,11-12,20-22,24H,9-10,13-15H2,1H3/b19-11+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of high affinity re-uptake of [3H]5-HT (serotonin) into nerve ending synaptosomes				J Med Chem 45: 1930-41 (2002) BindingDB Entry DOI: 10.7270/Q2M32WHG
					More data for this Ligand-Target Pair

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