Compile Data Set for Download or QSAR

Found 102 hits with Last Name = 'gopishetty' and Initial = 'b'   

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
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50020221 ((-)-5-hydroxy-2-(dipropylamino)tetralin | (-)-6-(d...) Show SMILES CCCN(CCC)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D3 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50326732 ((-)-6-(propyl(2-(4-(4-(pyridin-4-yl)-phenyl)pipera...) Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccncc1)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C30H38N4O/c1-2-16-33(28-10-11-29-26(23-28)4-3-5-30(29)35)20-17-32-18-21-34(22-19-32)27-8-6-24(7-9-27)25-12-14-31-15-13-25/h3-9,12-15,28,35H,2,10-11,16-23H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D3 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50273937 ((+)-(R)-7-((2-(4-phenylpiperazin-1-yl)ethyl)(propy...) Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)[C@@H]1CCc2ccc(O)cc2C1 |r| Show InChI InChI=1S/C25H35N3O/c1-2-12-27(24-10-8-21-9-11-25(29)20-22(21)19-24)16-13-26-14-17-28(18-15-26)23-6-4-3-5-7-23/h3-7,9,11,20,24,29H,2,8,10,12-19H2,1H3/t24-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D3 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50326725 (7-(propyl(2-(4-(pyridin-2-yl)piperazin-1-yl)ethyl)...) Show SMILES CCCN(CCN1CCN(CC1)c1ccccn1)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C24H34N4O/c1-2-11-27(22-8-6-20-7-9-23(29)19-21(20)18-22)15-12-26-13-16-28(17-14-26)24-5-3-4-10-25-24/h3-5,7,9-10,19,22,29H,2,6,8,11-18H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D3 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50303791 ((-)-(S)-N6-(2-(4-(Isoquinolin-1-yl)piperazin-1-yl)...) Show SMILES CCCN(CCN1CCN(CC1)c1nccc2ccccc12)[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C25H34N6S/c1-2-11-30(20-7-8-22-23(18-20)32-25(26)28-22)15-12-29-13-16-31(17-14-29)24-21-6-4-3-5-19(21)9-10-27-24/h3-6,9-10,20H,2,7-8,11-18H2,1H3,(H2,26,28)/t20-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D3 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50326731 ((-)-6-((2-(4-(biphenyl-4-yl)piperazin-1-yl)ethyl)(...) Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccccc1)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C31H39N3O/c1-2-17-33(29-15-16-30-27(24-29)9-6-10-31(30)35)21-18-32-19-22-34(23-20-32)28-13-11-26(12-14-28)25-7-4-3-5-8-25/h3-14,29,35H,2,15-24H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D3 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50326727 (7-(propyl(2-(4-(pyridin-3-yl)piperazin-1-yl)ethyl)...) Show SMILES CCCN(CCN1CCN(CC1)c1cccnc1)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C24H34N4O/c1-2-10-27(22-7-5-20-6-8-24(29)18-21(20)17-22)14-11-26-12-15-28(16-13-26)23-4-3-9-25-19-23/h3-4,6,8-9,18-19,22,29H,2,5,7,10-17H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D3 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50326729 (CHEMBL1254862 | rac-7-(propyl(2-(4-(4-(pyridin-3-y...) Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1cccnc1)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C30H38N4O/c1-2-14-33(29-11-7-25-8-12-30(35)22-27(25)21-29)18-15-32-16-19-34(20-17-32)28-9-5-24(6-10-28)26-4-3-13-31-23-26/h3-6,8-10,12-13,22-23,29,35H,2,7,11,14-21H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D3 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50326734 (7-((2-(4-(biphenyl-4-yl)piperazin-1-yl)ethyl)(prop...) Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccccc1)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C31H39N3O/c1-2-16-33(30-14-10-27-11-15-31(35)24-28(27)23-30)20-17-32-18-21-34(22-19-32)29-12-8-26(9-13-29)25-6-4-3-5-7-25/h3-9,11-13,15,24,30,35H,2,10,14,16-23H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D3 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50326734 (7-((2-(4-(biphenyl-4-yl)piperazin-1-yl)ethyl)(prop...) Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccccc1)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C31H39N3O/c1-2-16-33(30-14-10-27-11-15-31(35)24-28(27)23-30)20-17-32-18-21-34(22-19-32)29-12-8-26(9-13-29)25-6-4-3-5-7-25/h3-9,11-13,15,24,30,35H,2,10,14,16-23H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D3 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50020222 ((+/-)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthal...) Show SMILES CCCN(CCC)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D3 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50326726 (7-(propyl(2-(4-(pyrimidin-2-yl)piperazin-1-yl)ethy...) Show SMILES CCCN(CCN1CCN(CC1)c1ncccn1)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C23H33N5O/c1-2-10-27(21-6-4-19-5-7-22(29)18-20(19)17-21)14-11-26-12-15-28(16-13-26)23-24-8-3-9-25-23/h3,5,7-9,18,21,29H,2,4,6,10-17H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D3 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50326730 (7-((2-(4-(4-iodophenyl)piperazin-1-yl)-ethyl)(prop...) Show SMILES CCCN(CCN1CCN(CC1)c1ccc(I)cc1)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C25H34IN3O/c1-2-11-28(24-7-3-20-4-10-25(30)19-21(20)18-24)15-12-27-13-16-29(17-14-27)23-8-5-22(26)6-9-23/h4-6,8-10,19,24,30H,2-3,7,11-18H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D3 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM30130 (CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...) Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	12.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50343477 ((3S,6S)-6-Benzhydryl-N-(4-methoxybenzyl)tetrahydro...) Show SMILES COc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C26H29NO2/c1-28-24-15-12-20(13-16-24)18-27-23-14-17-25(29-19-23)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,15-16,23,25-27H,14,17-19H2,1H3/t23-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50326732 ((-)-6-(propyl(2-(4-(4-(pyridin-4-yl)-phenyl)pipera...) Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccncc1)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C30H38N4O/c1-2-16-33(28-10-11-29-26(23-28)4-3-5-30(29)35)20-17-32-18-21-34(22-19-32)27-8-6-24(7-9-27)25-12-14-31-15-13-25/h3-9,12-15,28,35H,2,10-11,16-23H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D2 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50326728 (7-(propyl(2-(4-(pyridin-4-yl)piperazin-1-yl)ethyl)...) Show SMILES CCCN(CCN1CCN(CC1)c1ccncc1)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C24H34N4O/c1-2-11-27(23-5-3-20-4-6-24(29)19-21(20)18-23)15-12-26-13-16-28(17-14-26)22-7-9-25-10-8-22/h4,6-10,19,23,29H,2-3,5,11-18H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D3 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50190609 ((2S,4R,5R)-5-(4-methoxybenzylamino)-2-benzhydryl-t...) Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C26H29NO3/c1-29-22-14-12-19(13-15-22)17-27-23-18-30-25(16-24(23)28)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,23-28H,16-18H2,1H3/t23-,24-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50343477 ((3S,6S)-6-Benzhydryl-N-(4-methoxybenzyl)tetrahydro...) Show SMILES COc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C26H29NO2/c1-28-24-15-12-20(13-16-24)18-27-23-14-17-25(29-19-23)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,15-16,23,25-27H,14,17-19H2,1H3/t23-,25-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	16.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50326733 ((+)-7-(propyl(2-(4-(4-(pyridin-4-yl)-phenyl)pipera...) Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccncc1)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C30H38N4O/c1-2-15-33(29-9-5-25-6-10-30(35)23-27(25)22-29)19-16-32-17-20-34(21-18-32)28-7-3-24(4-8-28)26-11-13-31-14-12-26/h3-4,6-8,10-14,23,29,35H,2,5,9,15-22H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D3 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50326733 ((+)-7-(propyl(2-(4-(4-(pyridin-4-yl)-phenyl)pipera...) Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccncc1)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C30H38N4O/c1-2-15-33(29-9-5-25-6-10-30(35)23-27(25)22-29)19-16-32-17-20-34(21-18-32)28-7-3-24(4-8-28)26-11-13-31-14-12-26/h3-4,6-8,10-14,23,29,35H,2,5,9,15-22H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D3 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50326727 (7-(propyl(2-(4-(pyridin-3-yl)piperazin-1-yl)ethyl)...) Show SMILES CCCN(CCN1CCN(CC1)c1cccnc1)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C24H34N4O/c1-2-10-27(22-7-5-20-6-8-24(29)18-21(20)17-22)14-11-26-12-15-28(16-13-26)23-4-3-9-25-19-23/h3-4,6,8-9,18-19,22,29H,2,5,7,10-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	21.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D2 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50190601 ((2S,4R,5R)-2-benzhydryl-5-[(1H-indol-5-ylmethyl)-a...) Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2[nH]ccc2c1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H28N2O2/c30-25-16-26(27(20-7-3-1-4-8-20)21-9-5-2-6-10-21)31-18-24(25)29-17-19-11-12-23-22(15-19)13-14-28-23/h1-15,24-30H,16-18H2/t24-,25-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50343470 ((3S,6S)-6-Benzhydryl-N-(pyridin-4-ylmethyl)tetrahy...) Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccncc1 |r| Show InChI InChI=1S/C24H26N2O/c1-3-7-20(8-4-1)24(21-9-5-2-6-10-21)23-12-11-22(18-27-23)26-17-19-13-15-25-16-14-19/h1-10,13-16,22-24,26H,11-12,17-18H2/t22-,23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50190603 (CHEMBL211077 | cis-(3S,6S)-(6-benzhydryl-tetrahydr...) Show SMILES Oc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C25H27NO2/c27-23-14-11-19(12-15-23)17-26-22-13-16-24(28-18-22)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,14-15,22,24-27H,13,16-18H2/t22-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50020680 (4-[2-(dipropylamino)ethyl]-1,3-dihydro-2H-indol-2-...) Show SMILES CCCN(CCC)CCc1cccc2NC(=O)Cc12 Show InChI InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	29.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D3 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50343473 (3-((((3S,6S)-6-Benzhydryltetrahydro-2H-pyran-3-yl)...) Show SMILES Oc1cccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)c1 |r| Show InChI InChI=1S/C25H27NO2/c27-23-13-7-8-19(16-23)17-26-22-14-15-24(28-18-22)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,16,22,24-27H,14-15,17-18H2/t22-,24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50190609 ((2S,4R,5R)-5-(4-methoxybenzylamino)-2-benzhydryl-t...) Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C26H29NO3/c1-29-22-14-12-19(13-15-22)17-27-23-18-30-25(16-24(23)28)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,23-28H,16-18H2,1H3/t23-,24-,25+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50343473 (3-((((3S,6S)-6-Benzhydryltetrahydro-2H-pyran-3-yl)...) Show SMILES Oc1cccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)c1 |r| Show InChI InChI=1S/C25H27NO2/c27-23-13-7-8-19(16-23)17-26-22-14-15-24(28-18-22)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,16,22,24-27H,14-15,17-18H2/t22-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50273937 ((+)-(R)-7-((2-(4-phenylpiperazin-1-yl)ethyl)(propy...) Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)[C@@H]1CCc2ccc(O)cc2C1 |r| Show InChI InChI=1S/C25H35N3O/c1-2-12-27(24-10-8-21-9-11-25(29)20-22(21)19-24)16-13-26-14-17-28(18-15-26)23-6-4-3-5-7-23/h3-7,9,11,20,24,29H,2,8,10,12-19H2,1H3/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D2 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50343474 ((3S,6S)-6-Benzhydryl-N-(thiophen-2-ylmethyl)tetrah...) Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1cccs1 |r| Show InChI InChI=1S/C23H25NOS/c1-3-8-18(9-4-1)23(19-10-5-2-6-11-19)22-14-13-20(17-25-22)24-16-21-12-7-15-26-21/h1-12,15,20,22-24H,13-14,16-17H2/t20-,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	41.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50190603 (CHEMBL211077 | cis-(3S,6S)-(6-benzhydryl-tetrahydr...) Show SMILES Oc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C25H27NO2/c27-23-14-11-19(12-15-23)17-26-22-13-16-24(28-18-22)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,14-15,22,24-27H,13,16-18H2/t22-,24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50343476 ((3S,6S)-N-((1H-Pyrrol-2-yl)methyl)-6-benzhydryltet...) Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc[nH]1 |r| Show InChI InChI=1S/C23H26N2O/c1-3-8-18(9-4-1)23(19-10-5-2-6-11-19)22-14-13-21(17-26-22)25-16-20-12-7-15-24-20/h1-12,15,21-25H,13-14,16-17H2/t21-,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50326730 (7-((2-(4-(4-iodophenyl)piperazin-1-yl)-ethyl)(prop...) Show SMILES CCCN(CCN1CCN(CC1)c1ccc(I)cc1)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C25H34IN3O/c1-2-11-28(24-7-3-20-4-10-25(30)19-21(20)18-24)15-12-27-13-16-29(17-14-27)23-8-5-22(26)6-9-23/h4-6,8-10,19,24,30H,2-3,7,11-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D2 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50326731 ((-)-6-((2-(4-(biphenyl-4-yl)piperazin-1-yl)ethyl)(...) Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccccc1)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C31H39N3O/c1-2-17-33(29-15-16-30-27(24-29)9-6-10-31(30)35)21-18-32-19-22-34(23-20-32)28-13-11-26(12-14-28)25-7-4-3-5-8-25/h3-14,29,35H,2,15-24H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D2 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50343463 ((S)-2-((3S,6S)-6-Benzhydryltetrahydro-2H-pyran-3-y...) Show SMILES O[C@H](CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H29NO2/c28-24(20-10-4-1-5-11-20)18-27-23-16-17-25(29-19-23)26(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-28H,16-19H2/t23-,24+,25-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50326734 (7-((2-(4-(biphenyl-4-yl)piperazin-1-yl)ethyl)(prop...) Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccccc1)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C31H39N3O/c1-2-16-33(30-14-10-27-11-15-31(35)24-28(27)23-30)20-17-32-18-21-34(22-19-32)29-12-8-26(9-13-29)25-6-4-3-5-7-25/h3-9,11-13,15,24,30,35H,2,10,14,16-23H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D2 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020221 ((-)-5-hydroxy-2-(dipropylamino)tetralin | (-)-6-(d...) Show SMILES CCCN(CCC)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	58.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D2 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50326729 (CHEMBL1254862 | rac-7-(propyl(2-(4-(4-(pyridin-3-y...) Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1cccnc1)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C30H38N4O/c1-2-14-33(29-11-7-25-8-12-30(35)22-27(25)21-29)18-15-32-16-19-34(20-17-32)28-9-5-24(6-10-28)26-4-3-13-31-23-26/h3-6,8-10,12-13,22-23,29,35H,2,7,11,14-21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D2 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50326734 (7-((2-(4-(biphenyl-4-yl)piperazin-1-yl)ethyl)(prop...) Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccccc1)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C31H39N3O/c1-2-16-33(30-14-10-27-11-15-31(35)24-28(27)23-30)20-17-32-18-21-34(22-19-32)29-12-8-26(9-13-29)25-6-4-3-5-7-25/h3-9,11-13,15,24,30,35H,2,10,14,16-23H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	64.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D2 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50326728 (7-(propyl(2-(4-(pyridin-4-yl)piperazin-1-yl)ethyl)...) Show SMILES CCCN(CCN1CCN(CC1)c1ccncc1)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C24H34N4O/c1-2-11-27(23-5-3-20-4-6-24(29)19-21(20)18-23)15-12-26-13-16-28(17-14-26)22-7-9-25-10-8-22/h4,6-10,19,23,29H,2-3,5,11-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D2 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50343464 ((R)-2-(3S,6S)-6-Benzhydryltetrahydro-2H-pyran-3-yl...) Show SMILES O[C@@H](CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H28FNO2/c27-22-13-11-19(12-14-22)24(29)17-28-23-15-16-25(30-18-23)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-26,28-29H,15-18H2/t23-,24-,25-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50190601 ((2S,4R,5R)-2-benzhydryl-5-[(1H-indol-5-ylmethyl)-a...) Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2[nH]ccc2c1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H28N2O2/c30-25-16-26(27(20-7-3-1-4-8-20)21-9-5-2-6-10-21)31-18-24(25)29-17-19-11-12-23-22(15-19)13-14-28-23/h1-15,24-30H,16-18H2/t24-,25-,26+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50343471 ((3S,6S)-6-Benzhydryl-N-(naphthalen-1-ylmethyl)tetr...) Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C29H29NO/c1-3-11-23(12-4-1)29(24-13-5-2-6-14-24)28-19-18-26(21-31-28)30-20-25-16-9-15-22-10-7-8-17-27(22)25/h1-17,26,28-30H,18-21H2/t26-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50326725 (7-(propyl(2-(4-(pyridin-2-yl)piperazin-1-yl)ethyl)...) Show SMILES CCCN(CCN1CCN(CC1)c1ccccn1)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C24H34N4O/c1-2-11-27(22-8-6-20-7-9-23(29)19-21(20)18-22)15-12-26-13-16-28(17-14-26)24-5-3-4-10-25-24/h3-5,7,9-10,19,22,29H,2,6,8,11-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	103	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D2 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50343465 ((S)-2-(((3S,6S)-6-Benzhydryltetrahydro-2H-pyran-3-...) Show SMILES O[C@H](CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H28FNO2/c27-22-13-11-19(12-14-22)24(29)17-28-23-15-16-25(30-18-23)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-26,28-29H,15-18H2/t23-,24+,25-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50343475 ((3S,6S)-6-Benzhydryl-N-(furan-2-ylmethyl)tetrahydr...) Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccco1 |r| Show InChI InChI=1S/C23H25NO2/c1-3-8-18(9-4-1)23(19-10-5-2-6-11-19)22-14-13-20(17-26-22)24-16-21-12-7-15-25-21/h1-12,15,20,22-24H,13-14,16-17H2/t20-,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50343475 ((3S,6S)-6-Benzhydryl-N-(furan-2-ylmethyl)tetrahydr...) Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccco1 |r| Show InChI InChI=1S/C23H25NO2/c1-3-8-18(9-4-1)23(19-10-5-2-6-11-19)22-14-13-20(17-26-22)24-16-21-12-7-15-25-21/h1-12,15,20,22-24H,13-14,16-17H2/t20-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50343466 ((R)-2-((3S,6S)-6-Benzhydryltetrahydro-2H-pyran-3-y...) Show SMILES COc1cccc(c1)[C@@H](O)CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H31NO3/c1-30-24-14-8-13-22(17-24)25(29)18-28-23-15-16-26(31-19-23)27(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,17,23,25-29H,15-16,18-19H2,1H3/t23-,25-,26-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair

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