Compile Data Set for Download or QSAR

Found 184 hits with Last Name = 'wolckenhauer' and Initial = 'sa'   

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
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50198443 (CHEMBL223494 | [(2R,3R,4S,5R,6S,8R,9R,13S,16S,18S)...) Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)C34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14 |wU:4.4,44.48,42.46,36.39,39.43,wD:35.37,31.32,29.31,32.34,25.27,TLB:26:25:47:48.3.2,45:44:28:4.3.2,45:44:36.29.35:48,37:36:44.47:48,38:36:44.47:48,5:4:44.42:28,28:29:32:36.39.38,THB:2:48:44.47:36.29.35,1:2:44.42:28,1:2:24.23.25:47,4:47:36.29.35:48,23:4:44.42:28,25:28:44.42:4.3.2,36:42:28:4.3.2,42:48:24.23.25:47,29:28:44.42:4.3.2,30:29:44.47:48,(-6.09,1.27,;-5.33,-.06,;-3.79,-.06,;-5,-2.01,;-3.5,-1.62,;-3.5,-3.16,;-4.84,-3.93,;-5.98,-4.95,;-7.41,-4.44,;-5.66,-6.46,;-4.2,-6.93,;-3.88,-8.44,;-5.03,-9.47,;-6.49,-8.99,;-6.79,-7.48,;-8.26,-7,;-9.51,-7.9,;-9.51,-9.44,;-10.75,-7,;-10.26,-5.54,;-11.17,-4.29,;-8.73,-5.53,;-8.47,-4.09,;-4.82,-.86,;-4.82,.68,;-3.5,1.46,;-3.95,3.19,;-5.94,3.32,;-2.18,.68,;-.92,1.67,;-1.04,3.14,;.32,3.71,;1.28,2.6,;2.81,2.74,;3.7,1.47,;.53,1.34,;1.18,-.03,;2.5,-.8,;4.95,.06,;4.95,3.78,;6.03,4.88,;7.51,4.48,;.58,-1.42,;1.58,-2.58,;-.95,-1.81,;-1.27,-3.33,;-.12,-4.34,;-2.18,-.86,;-2.77,2.27,)| Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3/t21-,22-,24+,25+,27-,28+,29?,30+,33?,34+,35-,36?,37+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]iodoMLA from alpha7 nAChR in rat cerebral cortex				Bioorg Med Chem 15: 678-85 (2006) Article DOI: 10.1016/j.bmc.2006.10.061 BindingDB Entry DOI: 10.7270/Q20K287P
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50198446 (CHEMBL413306 | phenyllycaconitine) Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)c(C)c(c3O)-c3ccccc3)CC[C@H](OC)C34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14 |wU:4.4,50.55,48.53,42.46,45.50,wD:41.44,37.39,35.38,38.41,31.34,TLB:51:50:34:4.3.2,51:50:42.35.41:54,32:31:53:54.3.2,43:42:50.53:54,44:42:50.53:54,5:4:50.48:34,34:35:38:42.45.44,THB:1:2:50.48:34,1:2:30.29.31:53,2:54:50.53:42.35.41,4:53:42.35.41:54,29:4:50.48:34,31:34:50.48:4.3.2,42:48:34:4.3.2,48:54:30.29.31:53,35:34:50.48:4.3.2,36:35:50.53:54,(12.79,-18.76,;13.55,-20.1,;15.09,-20.1,;13.87,-22.05,;15.37,-21.66,;15.38,-23.2,;14.04,-23.96,;12.89,-24.99,;11.47,-24.48,;13.22,-26.5,;14.67,-26.97,;15,-28.48,;13.84,-29.5,;12.39,-29.03,;12.08,-27.52,;10.62,-27.04,;9.37,-27.94,;9.37,-29.48,;8.13,-27.03,;6.67,-27.5,;8.61,-25.58,;10.14,-25.57,;10.41,-24.13,;8.17,-24.1,;9.24,-22.98,;8.8,-21.5,;7.3,-21.14,;6.24,-22.27,;6.68,-23.74,;14.05,-20.9,;14.05,-19.36,;15.37,-18.58,;14.92,-16.85,;12.94,-16.72,;16.7,-19.36,;17.96,-18.37,;17.84,-16.9,;19.19,-16.33,;20.16,-17.44,;21.69,-17.3,;22.57,-18.57,;19.4,-18.7,;20.06,-20.07,;21.38,-20.84,;23.83,-19.98,;23.83,-16.26,;24.91,-15.16,;26.39,-15.55,;19.46,-21.45,;20.46,-22.62,;17.93,-21.85,;17.61,-23.36,;18.76,-24.38,;16.7,-20.9,;16.11,-17.77,)| Show InChI InChI=1S/C43H54N2O10/c1-7-44-21-40(22-55-38(48)25-15-11-12-16-28(25)45-36(46)23(2)31(37(45)47)24-13-9-8-10-14-24)18-17-30(52-4)42-27-19-26-29(51-3)20-41(49,32(27)33(26)53-5)43(50,39(42)44)35(54-6)34(40)42/h8-16,26-27,29-30,32-35,39,46-47,49-50H,7,17-22H2,1-6H3/t26-,27-,29+,30+,32-,33+,34?,35+,39?,40+,41-,42?,43+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]iodoMLA from alpha7 nAChR in rat cerebral cortex				Bioorg Med Chem 15: 678-85 (2006) Article DOI: 10.1016/j.bmc.2006.10.061 BindingDB Entry DOI: 10.7270/Q20K287P
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50198445 (2,2-dimethyllycaconitine | CHEMBL387363) Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CC(C)(C)C3=O)CC[C@H](OC)C34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14 |TLB:46:45:29:4.3.2,46:45:37.30.36:49,27:26:48:49.3.2,38:37:45.48:49,39:37:45.48:49,5:4:45.43:29,29:30:33:37.40.39,THB:1:2:45.43:29,1:2:25.24.26:48,2:49:45.48:37.30.36,4:48:37.30.36:49,24:4:45.43:29,26:29:45.43:4.3.2,37:43:29:4.3.2,43:49:25.24.26:48,30:29:45.43:4.3.2,31:30:45.48:49| Show InChI InChI=1S/C38H52N2O10/c1-8-39-18-35(19-50-31(42)20-11-9-10-12-23(20)40-26(41)17-34(2,3)33(40)43)14-13-25(47-5)37-22-15-21-24(46-4)16-36(44,27(22)28(21)48-6)38(45,32(37)39)30(49-7)29(35)37/h9-12,21-22,24-25,27-30,32,44-45H,8,13-19H2,1-7H3/t21-,22-,24+,25+,27-,28+,29?,30+,32?,35+,36-,37?,38+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]iodoMLA from alpha7 nAChR in rat cerebral cortex				Bioorg Med Chem 15: 678-85 (2006) Article DOI: 10.1016/j.bmc.2006.10.061 BindingDB Entry DOI: 10.7270/Q20K287P
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50198442 ((R)-methyllycaconitine | CHEMBL387362) Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)C34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14 |wU:4.4,44.48,42.46,36.39,39.43,wD:35.37,31.32,29.31,32.34,25.27,TLB:45:44:28:4.3.2,45:44:36.29.35:48,26:25:47:48.3.2,37:36:44.47:48,38:36:44.47:48,5:4:44.42:28,28:29:32:36.39.38,THB:1:2:44.42:28,1:2:24.23.25:47,2:48:44.47:36.29.35,4:47:36.29.35:48,23:4:44.42:28,25:28:44.42:4.3.2,36:42:28:4.3.2,42:48:24.23.25:47,29:28:44.42:4.3.2,30:29:44.47:48,(14.18,3.38,;14.94,2.04,;16.48,2.04,;15.27,.09,;16.77,.48,;16.77,-1.06,;15.43,-1.82,;14.29,-2.85,;12.86,-2.34,;14.61,-4.36,;16.07,-4.83,;16.39,-6.34,;15.24,-7.36,;13.78,-6.89,;13.48,-5.38,;12.01,-4.9,;10.76,-5.8,;10.76,-7.34,;9.52,-4.89,;10.01,-3.44,;8.47,-3.42,;11.54,-3.43,;11.8,-1.99,;15.45,1.24,;15.45,2.78,;16.77,3.56,;16.32,5.3,;14.33,5.42,;18.09,2.78,;19.35,3.78,;19.23,5.25,;20.59,5.82,;21.55,4.7,;23.08,4.84,;23.97,3.57,;20.8,3.44,;21.45,2.07,;22.77,1.3,;25.22,2.16,;25.22,5.88,;26.3,6.98,;27.78,6.59,;20.85,.69,;21.85,-.48,;19.32,.29,;19,-1.22,;20.15,-2.24,;18.1,1.24,;17.5,4.37,)| Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3/t21-,22-,24+,25+,27-,28+,29?,30+,33?,34+,35-,36?,37+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]iodoMLA from alpha7 nAChR in rat cerebral cortex				Bioorg Med Chem 15: 678-85 (2006) Article DOI: 10.1016/j.bmc.2006.10.061 BindingDB Entry DOI: 10.7270/Q20K287P
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50198444 (2,3-dimethyllycaconitine | CHEMBL442048) Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)c(C)c(C)c3O)CC[C@H](OC)C34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14 |wU:4.4,45.49,43.47,37.40,40.44,wD:36.38,32.33,30.32,33.35,26.28,TLB:46:45:29:4.3.2,46:45:37.30.36:49,27:26:48:49.3.2,38:37:45.48:49,39:37:45.48:49,5:4:45.43:29,29:30:33:37.40.39,THB:1:2:45.43:29,1:2:25.24.26:48,2:49:45.48:37.30.36,4:48:37.30.36:49,24:4:45.43:29,26:29:45.43:4.3.2,37:43:29:4.3.2,43:49:25.24.26:48,30:29:45.43:4.3.2,31:30:45.48:49,(-5.77,-17.21,;-5.01,-18.54,;-3.47,-18.54,;-4.69,-20.5,;-3.19,-20.1,;-3.18,-21.64,;-4.52,-22.41,;-5.67,-23.44,;-7.09,-22.92,;-5.35,-24.94,;-3.89,-25.41,;-3.56,-26.93,;-4.72,-27.95,;-6.17,-27.48,;-6.48,-25.96,;-7.94,-25.48,;-8.42,-24.01,;-8.15,-22.57,;-9.95,-24.02,;-9.96,-22.48,;-10.43,-25.48,;-11.89,-25.94,;-9.19,-26.38,;-9.19,-27.92,;-4.51,-19.34,;-4.51,-17.8,;-3.19,-17.02,;-3.64,-15.29,;-5.62,-15.17,;-1.86,-17.8,;-.6,-16.81,;-.72,-15.34,;.63,-14.77,;1.6,-15.88,;3.13,-15.75,;4.01,-17.01,;.84,-17.14,;1.5,-18.51,;2.82,-19.28,;5.27,-18.42,;5.27,-14.7,;6.35,-13.61,;7.83,-14,;.9,-19.9,;1.9,-21.06,;-.63,-20.3,;-.95,-21.81,;.2,-22.82,;-1.86,-19.34,;-2.45,-16.21,)| Show InChI InChI=1S/C38H52N2O10/c1-8-39-17-35(18-50-33(43)21-11-9-10-12-24(21)40-31(41)19(2)20(3)32(40)42)14-13-26(47-5)37-23-15-22-25(46-4)16-36(44,27(23)28(22)48-6)38(45,34(37)39)30(49-7)29(35)37/h9-12,22-23,25-30,34,41-42,44-45H,8,13-18H2,1-7H3/t22-,23-,25+,26+,27-,28+,29?,30+,34?,35+,36-,37?,38+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]iodoMLA from alpha7 nAChR in rat cerebral cortex				Bioorg Med Chem 15: 678-85 (2006) Article DOI: 10.1016/j.bmc.2006.10.061 BindingDB Entry DOI: 10.7270/Q20K287P
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50198441 (CHEMBL267682 | cyclohexyllycaconitine) Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)c(C)c(C4CCCCC4)c3O)CC[C@H](OC)C34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14 |wU:4.4,50.55,48.53,42.46,45.50,wD:41.44,37.39,35.38,38.41,31.34,TLB:51:50:34:4.3.2,51:50:42.35.41:54,32:31:53:54.3.2,43:42:50.53:54,44:42:50.53:54,5:4:50.48:34,34:35:38:42.45.44,THB:1:2:50.48:34,1:2:30.29.31:53,2:54:50.53:42.35.41,4:53:42.35.41:54,29:4:50.48:34,31:34:50.48:4.3.2,42:48:34:4.3.2,48:54:30.29.31:53,35:34:50.48:4.3.2,36:35:50.53:54,(32.63,-18.97,;33.4,-20.3,;34.94,-20.3,;33.72,-22.26,;35.22,-21.86,;35.22,-23.4,;33.89,-24.17,;32.74,-25.2,;31.31,-24.68,;33.06,-26.7,;34.52,-27.17,;34.84,-28.69,;33.69,-29.71,;32.23,-29.24,;31.93,-27.72,;30.47,-27.24,;29.22,-28.14,;29.22,-29.68,;27.98,-27.24,;26.52,-27.71,;28.46,-25.78,;28.16,-24.27,;29.33,-23.25,;29.03,-21.74,;27.57,-21.24,;26.41,-22.26,;26.71,-23.77,;29.99,-25.77,;30.26,-24.34,;33.9,-21.1,;33.9,-19.56,;35.22,-18.78,;34.77,-17.05,;32.79,-16.93,;36.55,-19.56,;37.81,-18.57,;37.69,-17.1,;39.04,-16.53,;40.01,-17.64,;41.54,-17.51,;42.42,-18.77,;39.25,-18.91,;39.91,-20.27,;41.23,-21.04,;43.68,-20.18,;43.68,-16.46,;44.75,-15.37,;46.24,-15.76,;39.31,-21.66,;40.31,-22.82,;37.77,-22.06,;37.46,-23.57,;38.6,-24.59,;36.55,-21.1,;35.96,-17.97,)| Show InChI InChI=1S/C43H60N2O10/c1-7-44-21-40(22-55-38(48)25-15-11-12-16-28(25)45-36(46)23(2)31(37(45)47)24-13-9-8-10-14-24)18-17-30(52-4)42-27-19-26-29(51-3)20-41(49,32(27)33(26)53-5)43(50,39(42)44)35(54-6)34(40)42/h11-12,15-16,24,26-27,29-30,32-35,39,46-47,49-50H,7-10,13-14,17-22H2,1-6H3/t26-,27-,29+,30+,32-,33+,34?,35+,39?,40+,41-,42?,43+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]iodoMLA from alpha7 nAChR in rat cerebral cortex				Bioorg Med Chem 15: 678-85 (2006) Article DOI: 10.1016/j.bmc.2006.10.061 BindingDB Entry DOI: 10.7270/Q20K287P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50302924 (2-(tert-Butylamino)-3',4'-dichloropentanophenone |...) Show SMILES CCCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H21Cl2NO/c1-5-6-13(18-15(2,3)4)14(19)10-7-8-11(16)12(17)9-10/h7-9,13,18H,5-6H2,1-4H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50302927 (2-(N-tert-Butylamino)-3'-chloropentanophenone | 2-...) Show SMILES CCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C15H22ClNO/c1-5-7-13(17-15(2,3)4)14(18)11-8-6-9-12(16)10-11/h6,8-10,13,17H,5,7H2,1-4H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50302913 (2-(N-tert-Butylamino)-3'-chlorophenyl-4-methylpent...) Show SMILES CC(C)CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C16H24ClNO/c1-11(2)9-14(18-16(3,4)5)15(19)12-7-6-8-13(17)10-12/h6-8,10-11,14,18H,9H2,1-5H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					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	272	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50302914 (2-(tert-Butylamino)-3',4'-dichlorobutyrophenone | ...) Show SMILES CCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H19Cl2NO/c1-5-12(17-14(2,3)4)13(18)9-6-7-10(15)11(16)8-9/h6-8,12,17H,5H2,1-4H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	278	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50302932 (1-(3-chlorophenyl)-2-(cyclobutylamino)propan-1-one...) Show SMILES CC(NC1CCC1)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C13H16ClNO/c1-9(15-12-6-3-7-12)13(16)10-4-2-5-11(14)8-10/h2,4-5,8-9,12,15H,3,6-7H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	343	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50302931 (2-(N-tert-Butylamino)-3'-chlorohexanophenone | CHE...) Show SMILES CCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C16H24ClNO/c1-5-6-10-14(18-16(2,3)4)15(19)12-8-7-9-13(17)11-12/h7-9,11,14,18H,5-6,10H2,1-4H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50302929 (2-(N-tert-Butylamino)-3'-chlorobutyrophenone | 2-(...) Show SMILES CCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C14H20ClNO/c1-5-12(16-14(2,3)4)13(17)10-7-6-8-11(15)9-10/h6-9,12,16H,5H2,1-4H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	459	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50302918 (2-(N-tert-Butylamino)-3',4'-dichloropropiophenone ...) Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C13H17Cl2NO/c1-8(16-13(2,3)4)12(17)9-5-6-10(14)11(15)7-9/h5-8,16H,1-4H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	472	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50302909 (2-(N-tert-Butylamino)-3'-chlorooctanophenone | CHE...) Show SMILES CCCCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C18H28ClNO/c1-5-6-7-8-12-16(20-18(2,3)4)17(21)14-10-9-11-15(19)13-14/h9-11,13,16,20H,5-8,12H2,1-4H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50302924 (2-(tert-Butylamino)-3',4'-dichloropentanophenone |...) Show SMILES CCCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H21Cl2NO/c1-5-6-13(18-15(2,3)4)14(19)10-7-8-11(16)12(17)9-10/h7-9,13,18H,5-6H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					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	601	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50302921 (2-(N-tert-Butylamino)-3'-chloroheptanophenone | CH...) Show SMILES CCCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C17H26ClNO/c1-5-6-7-11-15(19-17(2,3)4)16(20)13-9-8-10-14(18)12-13/h8-10,12,15,19H,5-7,11H2,1-4H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	709	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					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	830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50302924 (2-(tert-Butylamino)-3',4'-dichloropentanophenone |...) Show SMILES CCCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H21Cl2NO/c1-5-6-13(18-15(2,3)4)14(19)10-7-8-11(16)12(17)9-10/h7-9,13,18H,5-6H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	842	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50302914 (2-(tert-Butylamino)-3',4'-dichlorobutyrophenone | ...) Show SMILES CCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H19Cl2NO/c1-5-12(17-14(2,3)4)13(18)9-6-7-10(15)11(16)8-9/h6-8,12,17H,5H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50048392 (2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...) Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	871	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50302928 (1-(3-chlorophenyl)-2-(piperidin-1-yl)propan-1-one ...) Show SMILES CC(N1CCCCC1)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C14H18ClNO/c1-11(16-8-3-2-4-9-16)14(17)12-6-5-7-13(15)10-12/h5-7,10-11H,2-4,8-9H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50302907 (2-(N-Cyclopropylamino)-3-chloropropiophenone | CHE...) Show SMILES CC(NC1CC1)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C12H14ClNO/c1-8(14-11-5-6-11)12(15)9-3-2-4-10(13)7-9/h2-4,7-8,11,14H,5-6H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50302917 (2-(N-tert-Butylamino)-3'-chloro-4'-methylpropiophe...) Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(C)c(Cl)c1 Show InChI InChI=1S/C14H20ClNO/c1-9-6-7-11(8-12(9)15)13(17)10(2)16-14(3,4)5/h6-8,10,16H,1-5H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50302927 (2-(N-tert-Butylamino)-3'-chloropentanophenone | 2-...) Show SMILES CCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C15H22ClNO/c1-5-7-13(17-15(2,3)4)14(18)11-8-6-9-12(16)10-11/h6,8-10,13,17H,5,7H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50302922 (1-(4-bromo-3-methylphenyl)-2-(tert-butylamino)prop...) Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Br)c(C)c1 Show InChI InChI=1S/C14H20BrNO/c1-9-8-11(6-7-12(9)15)13(17)10(2)16-14(3,4)5/h6-8,10,16H,1-5H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50302918 (2-(N-tert-Butylamino)-3',4'-dichloropropiophenone ...) Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C13H17Cl2NO/c1-8(16-13(2,3)4)12(17)9-5-6-10(14)11(15)7-9/h5-8,16H,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50302923 (2-(N-tert-Butylamino)-3'-chlorophenyl-4-cyclohexyl...) Show SMILES CC(C)(C)NC(CCC1CCCCC1)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C20H30ClNO/c1-20(2,3)22-18(13-12-15-8-5-4-6-9-15)19(23)16-10-7-11-17(21)14-16/h7,10-11,14-15,18,22H,4-6,8-9,12-13H2,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50302922 (1-(4-bromo-3-methylphenyl)-2-(tert-butylamino)prop...) Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Br)c(C)c1 Show InChI InChI=1S/C14H20BrNO/c1-9-8-11(6-7-12(9)15)13(17)10(2)16-14(3,4)5/h6-8,10,16H,1-5H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50302932 (1-(3-chlorophenyl)-2-(cyclobutylamino)propan-1-one...) Show SMILES CC(NC1CCC1)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C13H16ClNO/c1-9(15-12-6-3-7-12)13(16)10-4-2-5-11(14)8-10/h2,4-5,8-9,12,15H,3,6-7H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50302910 (1-(4-bromophenyl)-2-(tert-butylamino)propan-1-one ...) Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C13H18BrNO/c1-9(15-13(2,3)4)12(16)10-5-7-11(14)8-6-10/h5-9,15H,1-4H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50302917 (2-(N-tert-Butylamino)-3'-chloro-4'-methylpropiophe...) Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(C)c(Cl)c1 Show InChI InChI=1S/C14H20ClNO/c1-9-6-7-11(8-12(9)15)13(17)10(2)16-14(3,4)5/h6-8,10,16H,1-5H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50302911 (2-(N-tert-Butylamino)-4'-chloropropiophenone | 2-(...) Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-5-7-11(14)8-6-10/h5-9,15H,1-4H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50302916 (1-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-on...) Show SMILES CC(NC1CCCC1)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C14H18ClNO/c1-10(16-13-7-2-3-8-13)14(17)11-5-4-6-12(15)9-11/h4-6,9-10,13,16H,2-3,7-8H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50302915 (2-(N,N-Diethylamino)-3'-chloropropiophenone | CHEM...) Show SMILES CCN(CC)C(C)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C13H18ClNO/c1-4-15(5-2)10(3)13(16)11-7-6-8-12(14)9-11/h6-10H,4-5H2,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50302914 (2-(tert-Butylamino)-3',4'-dichlorobutyrophenone | ...) Show SMILES CCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H19Cl2NO/c1-5-12(17-14(2,3)4)13(18)9-6-7-10(15)11(16)8-9/h6-8,12,17H,5H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50302913 (2-(N-tert-Butylamino)-3'-chlorophenyl-4-methylpent...) Show SMILES CC(C)CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C16H24ClNO/c1-11(2)9-14(18-16(3,4)5)15(19)12-7-6-8-13(17)10-12/h6-8,10-11,14,18H,9H2,1-5H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50302909 (2-(N-tert-Butylamino)-3'-chlorooctanophenone | CHE...) Show SMILES CCCCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C18H28ClNO/c1-5-6-7-8-12-16(20-18(2,3)4)17(21)14-10-9-11-15(19)13-14/h9-11,13,16,20H,5-8,12H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50302908 (1-(3-chlorophenyl)-2-(dimethylamino)propan-1-one |...) Show SMILES CC(N(C)C)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C11H14ClNO/c1-8(13(2)3)11(14)9-5-4-6-10(12)7-9/h4-8H,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50302931 (2-(N-tert-Butylamino)-3'-chlorohexanophenone | CHE...) Show SMILES CCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C16H24ClNO/c1-5-6-10-14(18-16(2,3)4)15(19)12-8-7-9-13(17)11-12/h7-9,11,14,18H,5-6,10H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50302929 (2-(N-tert-Butylamino)-3'-chlorobutyrophenone | 2-(...) Show SMILES CCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C14H20ClNO/c1-5-12(16-14(2,3)4)13(17)10-7-6-8-11(15)9-10/h6-9,12,16H,5H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50302907 (2-(N-Cyclopropylamino)-3-chloropropiophenone | CHE...) Show SMILES CC(NC1CC1)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C12H14ClNO/c1-8(14-11-5-6-11)12(15)9-3-2-4-10(13)7-9/h2-4,7-8,11,14H,5-6H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50302932 (1-(3-chlorophenyl)-2-(cyclobutylamino)propan-1-one...) Show SMILES CC(NC1CCC1)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C13H16ClNO/c1-9(15-12-6-3-7-12)13(16)10-4-2-5-11(14)8-10/h2,4-5,8-9,12,15H,3,6-7H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50302923 (2-(N-tert-Butylamino)-3'-chlorophenyl-4-cyclohexyl...) Show SMILES CC(C)(C)NC(CCC1CCCCC1)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C20H30ClNO/c1-20(2,3)22-18(13-12-15-8-5-4-6-9-15)19(23)16-10-7-11-17(21)14-16/h7,10-11,14-15,18,22H,4-6,8-9,12-13H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50302920 (2-(N-Isopropylamino)-3'-chloropropiophenone | CHEM...) Show SMILES CC(C)NC(C)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C12H16ClNO/c1-8(2)14-9(3)12(15)10-5-4-6-11(13)7-10/h4-9,14H,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50302926 ((1R,2R)-2-(tert-butylamino)-1-phenylpropan-1-ol | ...) Show SMILES CC(NC(C)(C)C)C(O)c1ccccc1 Show InChI InChI=1S/C13H21NO/c1-10(14-13(2,3)4)12(15)11-8-6-5-7-9-11/h5-10,12,14-15H,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50302907 (2-(N-Cyclopropylamino)-3-chloropropiophenone | CHE...) Show SMILES CC(NC1CC1)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C12H14ClNO/c1-8(14-11-5-6-11)12(15)9-3-2-4-10(13)7-9/h2-4,7-8,11,14H,5-6H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50302908 (1-(3-chlorophenyl)-2-(dimethylamino)propan-1-one |...) Show SMILES CC(N(C)C)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C11H14ClNO/c1-8(13(2)3)11(14)9-5-4-6-10(12)7-9/h4-8H,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair

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