Compile Data Set for Download or QSAR

Found 72 hits with Last Name = 'donner' and Initial = 'bg'   

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))	BDBM50057114 ((2-Benzooxazol-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4ncoc4c3)CCCc12 Show InChI InChI=1S/C22H26N2O2/c1-24(12-11-16-9-10-20-22(13-16)26-15-23-20)14-17-5-3-7-19-18(17)6-4-8-21(19)25-2/h4,6,8-10,13,15,17H,3,5,7,11-12,14H2,1-2H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.25	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057102 (CHEMBL10410 | [2-(2-Methanesulfonyl-2,3-dihydro-1H...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4CN(Cc4c3)S(C)(=O)=O)CCCc12 Show InChI InChI=1S/C24H32N2O3S/c1-25(15-20-6-4-8-23-22(20)7-5-9-24(23)29-2)13-12-18-10-11-19-16-26(30(3,27)28)17-21(19)14-18/h5,7,9-11,14,20H,4,6,8,12-13,15-17H2,1-3H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.81	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.43	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057099 (CHEMBL9970 | [2-(2,2-Dioxo-2,3-dihydro-1H-2lambda*...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4CS(=O)(=O)Cc4c3)CCCc12 Show InChI InChI=1S/C23H29NO3S/c1-24(12-11-17-9-10-19-15-28(25,26)16-20(19)13-17)14-18-5-3-7-22-21(18)6-4-8-23(22)27-2/h4,6,8-10,13,18H,3,5,7,11-12,14-16H2,1-2H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.67	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057101 ((2-Benzothiazol-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4ncsc4c3)CCCc12 Show InChI InChI=1S/C22H26N2OS/c1-24(12-11-16-9-10-20-22(13-16)26-15-23-20)14-17-5-3-7-19-18(17)6-4-8-21(19)25-2/h4,6,8-10,13,15,17H,3,5,7,11-12,14H2,1-2H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.94	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057108 (6-{2-[((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4nc(N)sc4c3)CCCc12 Show InChI InChI=1S/C22H27N3OS/c1-25(12-11-15-9-10-19-21(13-15)27-22(23)24-19)14-16-5-3-7-18-17(16)6-4-8-20(18)26-2/h4,6,8-10,13,16H,3,5,7,11-12,14H2,1-2H3,(H2,23,24)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.47	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057135 (CHEMBL9896 | [2-(1H-Benzoimidazol-5-yl)-ethyl]-((R...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4nc[nH]c4c3)CCCc12 Show InChI InChI=1S/C22H27N3O/c1-25(12-11-16-9-10-20-21(13-16)24-15-23-20)14-17-5-3-7-19-18(17)6-4-8-22(19)26-2/h4,6,8-10,13,15,17H,3,5,7,11-12,14H2,1-2H3,(H,23,24)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057124 (CHEMBL430314 | [2-(2,3-Dihydro-1H-isoindol-5-yl)-e...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4CNCc4c3)CCCc12 Show InChI InChI=1S/C23H30N2O/c1-25(12-11-17-9-10-18-14-24-15-20(18)13-17)16-19-5-3-7-22-21(19)6-4-8-23(22)26-2/h4,6,8-10,13,19,24H,3,5,7,11-12,14-16H2,1-2H3/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	11.6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057098 ((2-Benzo[1,3]dioxol-5-yl-ethyl)-((R)-5-methoxy-1,2...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4OCOc4c3)CCCc12 Show InChI InChI=1S/C22H27NO3/c1-23(12-11-16-9-10-21-22(13-16)26-15-25-21)14-17-5-3-7-19-18(17)6-4-8-20(19)24-2/h4,6,8-10,13,17H,3,5,7,11-12,14-15H2,1-2H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12.7	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50058954 ((1S,2S,3S,4S)-3,4-Bis-[butyl-(4-phenoxy-benzyl)-ca...) Show SMILES CCCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H]1[C@@H]([C@H]([C@H]1C(=O)N(CCCC)Cc1ccc(Oc2ccccc2)cc1)C(O)=O)C(O)=O Show InChI InChI=1S/C42H46N2O8/c1-3-5-25-43(27-29-17-21-33(22-18-29)51-31-13-9-7-10-14-31)39(45)35-36(38(42(49)50)37(35)41(47)48)40(46)44(26-6-4-2)28-30-19-23-34(24-20-30)52-32-15-11-8-12-16-32/h7-24,35-38H,3-6,25-28H2,1-2H3,(H,47,48)(H,49,50)/t35-,36-,37-,38-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Squalene Synthase				J Med Chem 40: 2123-5 (1997) Article DOI: 10.1021/jm970058x BindingDB Entry DOI: 10.7270/Q2V9875N
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057128 ((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4ccoc4c3)CCCc12 Show InChI InChI=1S/C23H27NO2/c1-24(13-11-17-9-10-18-12-14-26-23(18)15-17)16-19-5-3-7-21-20(19)6-4-8-22(21)25-2/h4,6,8-10,12,14-15,19H,3,5,7,11,13,16H2,1-2H3/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13.1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50058948 ((1S,2S,3S,4S)-3,4-Bis-[isobutyl-(4-phenoxy-benzyl)...) Show SMILES CC(C)CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H]1[C@@H]([C@H]([C@H]1C(=O)N(CC(C)C)Cc1ccc(Oc2ccccc2)cc1)C(O)=O)C(O)=O Show InChI InChI=1S/C42H46N2O8/c1-27(2)23-43(25-29-15-19-33(20-16-29)51-31-11-7-5-8-12-31)39(45)35-36(38(42(49)50)37(35)41(47)48)40(46)44(24-28(3)4)26-30-17-21-34(22-18-30)52-32-13-9-6-10-14-32/h5-22,27-28,35-38H,23-26H2,1-4H3,(H,47,48)(H,49,50)/t35-,36-,37-,38-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Squalene Synthase				J Med Chem 40: 2123-5 (1997) Article DOI: 10.1021/jm970058x BindingDB Entry DOI: 10.7270/Q2V9875N
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057113 (CHEMBL9912 | [2-(2,3-Dihydro-benzofuran-5-yl)-ethy...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4OCCc4c3)CCCc12 Show InChI InChI=1S/C23H29NO2/c1-24(13-11-17-9-10-22-18(15-17)12-14-26-22)16-19-5-3-7-21-20(19)6-4-8-23(21)25-2/h4,6,8-10,15,19H,3,5,7,11-14,16H2,1-2H3/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14.6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057110 (5-{2-[((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4[nH]c(=O)[nH]c4c3)CCCc12 Show InChI InChI=1S/C22H27N3O2/c1-25(12-11-15-9-10-19-20(13-15)24-22(26)23-19)14-16-5-3-7-18-17(16)6-4-8-21(18)27-2/h4,6,8-10,13,16H,3,5,7,11-12,14H2,1-2H3,(H2,23,24,26)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16.3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057104 ((2-Benzooxazol-5-yl-ethyl)-((R)-5-methoxy-1,2,3,4-...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4ocnc4c3)CCCc12 Show InChI InChI=1S/C22H26N2O2/c1-24(12-11-16-9-10-22-20(13-16)23-15-26-22)14-17-5-3-7-19-18(17)6-4-8-21(19)25-2/h4,6,8-10,13,15,17H,3,5,7,11-12,14H2,1-2H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16.7	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057142 ((2-Benzofuran-5-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4occc4c3)CCCc12 Show InChI InChI=1S/C23H27NO2/c1-24(13-11-17-9-10-22-18(15-17)12-14-26-22)16-19-5-3-7-21-20(19)6-4-8-23(21)25-2/h4,6,8-10,12,14-15,19H,3,5,7,11,13,16H2,1-2H3/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17.6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057145 (((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylm...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4cccnc4c3)CCCc12 Show InChI InChI=1S/C24H28N2O/c1-26(15-13-18-11-12-19-7-5-14-25-23(19)16-18)17-20-6-3-9-22-21(20)8-4-10-24(22)27-2/h4-5,7-8,10-12,14,16,20H,3,6,9,13,15,17H2,1-2H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18.1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057125 (CHEMBL274391 | [2-(2,3-Dihydro-benzofuran-6-yl)-et...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4CCOc4c3)CCCc12 Show InChI InChI=1S/C23H29NO2/c1-24(13-11-17-9-10-18-12-14-26-23(18)15-17)16-19-5-3-7-21-20(19)6-4-8-22(21)25-2/h4,6,8-10,15,19H,3,5,7,11-14,16H2,1-2H3/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18.1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057131 (6-{2-[((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4[nH]c(=O)oc4c3)CCCc12 Show InChI InChI=1S/C22H26N2O3/c1-24(12-11-15-9-10-19-21(13-15)27-22(25)23-19)14-16-5-3-7-18-17(16)6-4-8-20(18)26-2/h4,6,8-10,13,16H,3,5,7,11-12,14H2,1-2H3,(H,23,25)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19.4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057129 ((2-Indan-5-yl-ethyl)-((R)-5-methoxy-1,2,3,4-tetrah...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4CCCc4c3)CCCc12 Show InChI InChI=1S/C24H31NO/c1-25(15-14-18-12-13-19-6-3-7-20(19)16-18)17-21-8-4-10-23-22(21)9-5-11-24(23)26-2/h5,9,11-13,16,21H,3-4,6-8,10,14-15,17H2,1-2H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057093 ((2-Benzo[1,3]dioxol-5-yl-ethyl)-(5-methoxy-1,2,3,4...) Show SMILES COc1cccc2C(CN(C)CCc3ccc4OCOc4c3)CCCc12 Show InChI InChI=1S/C22H27NO3/c1-23(12-11-16-9-10-21-22(13-16)26-15-25-21)14-17-5-3-7-19-18(17)6-4-8-20(19)24-2/h4,6,8-10,13,17H,3,5,7,11-12,14-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20.6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057095 (5-{2-[((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4NC(=O)Cc4c3)CCCc12 Show InChI InChI=1S/C23H28N2O2/c1-25(12-11-16-9-10-21-18(13-16)14-23(26)24-21)15-17-5-3-7-20-19(17)6-4-8-22(20)27-2/h4,6,8-10,13,17H,3,5,7,11-12,14-15H2,1-2H3,(H,24,26)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22.2	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057112 (CHEMBL10369 | [2-(2,3-Dihydro-benzo[b]thiophen-5-y...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4SCCc4c3)CCCc12 Show InChI InChI=1S/C23H29NOS/c1-24(13-11-17-9-10-23-18(15-17)12-14-26-23)16-19-5-3-7-21-20(19)6-4-8-22(21)25-2/h4,6,8-10,15,19H,3,5,7,11-14,16H2,1-2H3/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24.3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057126 ((2-Benzo[1,3]dioxol-5-yl-ethyl)-[(R)-1-(2,3,6,7,8,...) Show SMILES CN(CCc1ccc2OCOc2c1)C[C@@H]1CCCc2c3OCCc3ccc12 Show InChI InChI=1S/C23H27NO3/c1-24(11-9-16-5-8-21-22(13-16)27-15-26-21)14-18-3-2-4-20-19(18)7-6-17-10-12-25-23(17)20/h5-8,13,18H,2-4,9-12,14-15H2,1H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26.7	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057141 (CHEMBL276236 | [2-(2,3-Dihydro-1H-indol-5-yl)-ethy...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4NCCc4c3)CCCc12 Show InChI InChI=1S/C23H30N2O/c1-25(14-12-17-9-10-22-18(15-17)11-13-24-22)16-19-5-3-7-21-20(19)6-4-8-23(21)26-2/h4,6,8-10,15,19,24H,3,5,7,11-14,16H2,1-2H3/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31.8	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50058953 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CCC[C@H](C)C[C@H](C)C=CC(=O)C[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |w:9.9| Show InChI InChI=1S/C37H50O13/c1-7-11-21(2)18-22(3)14-15-27(39)20-28-30(40)35(49-31(32(41)42)36(47,33(43)44)37(28,50-35)34(45)46)17-16-23(4)29(48-25(6)38)24(5)19-26-12-9-8-10-13-26/h8-10,12-15,21-22,24,28-31,40,47H,4,7,11,16-20H2,1-3,5-6H3,(H,41,42)(H,43,44)(H,45,46)/t21-,22+,24+,28+,29+,30+,31+,35-,36+,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description tested for invitro inhibitory activity against Squalene Synthase				J Med Chem 40: 2123-5 (1997) Article DOI: 10.1021/jm970058x BindingDB Entry DOI: 10.7270/Q2V9875N
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057111 (CHEMBL10066 | [2-(1,1-Dioxo-2,3-dihydro-1H-1lambda...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4c(CCS4(=O)=O)c3)CCCc12 Show InChI InChI=1S/C23H29NO3S/c1-24(13-11-17-9-10-23-18(15-17)12-14-28(23,25)26)16-19-5-3-7-21-20(19)6-4-8-22(21)27-2/h4,6,8-10,15,19H,3,5,7,11-14,16H2,1-2H3/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33.7	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057092 (CHEMBL10170 | [2-(1-Methanesulfonyl-2,3-dihydro-1H...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4N(CCc4c3)S(C)(=O)=O)CCCc12 Show InChI InChI=1S/C24H32N2O3S/c1-25(17-20-6-4-8-22-21(20)7-5-9-24(22)29-2)14-12-18-10-11-23-19(16-18)13-15-26(23)30(3,27)28/h5,7,9-11,16,20H,4,6,8,12-15,17H2,1-3H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50058945 ((1S,2S,3S,4S)-3,4-Bis-[(4-phenoxy-benzyl)-propyl-c...) Show SMILES CCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H]1[C@@H]([C@H]([C@H]1C(=O)N(CCC)Cc1ccc(Oc2ccccc2)cc1)C(O)=O)C(O)=O Show InChI InChI=1S/C40H42N2O8/c1-3-23-41(25-27-15-19-31(20-16-27)49-29-11-7-5-8-12-29)37(43)33-34(36(40(47)48)35(33)39(45)46)38(44)42(24-4-2)26-28-17-21-32(22-18-28)50-30-13-9-6-10-14-30/h5-22,33-36H,3-4,23-26H2,1-2H3,(H,45,46)(H,47,48)/t33-,34-,35-,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Squalene Synthase				J Med Chem 40: 2123-5 (1997) Article DOI: 10.1021/jm970058x BindingDB Entry DOI: 10.7270/Q2V9875N
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057146 (CHEMBL418337 | [2-(2-Chloro-benzothiazol-6-yl)-eth...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4nc(Cl)sc4c3)CCCc12 Show InChI InChI=1S/C22H25ClN2OS/c1-25(12-11-15-9-10-19-21(13-15)27-22(23)24-19)14-16-5-3-7-18-17(16)6-4-8-20(18)26-2/h4,6,8-10,13,16H,3,5,7,11-12,14H2,1-2H3/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38.2	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057147 (CHEMBL269402 | [2-(1-Methanesulfonyl-2,3-dihydro-1...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4CCN(c4c3)S(C)(=O)=O)CCCc12 Show InChI InChI=1S/C24H32N2O3S/c1-25(17-20-6-4-8-22-21(20)7-5-9-24(22)29-2)14-12-18-10-11-19-13-15-26(23(19)16-18)30(3,27)28/h5,7,9-11,16,20H,4,6,8,12-15,17H2,1-3H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38.9	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057105 (((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylm...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4nc(C)oc4c3)CCCc12 Show InChI InChI=1S/C23H28N2O2/c1-16-24-21-11-10-17(14-23(21)27-16)12-13-25(2)15-18-6-4-8-20-19(18)7-5-9-22(20)26-3/h5,7,9-11,14,18H,4,6,8,12-13,15H2,1-3H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42.8	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057109 (((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylm...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4nccnc4c3)CCCc12 Show InChI InChI=1S/C23H27N3O/c1-26(14-11-17-9-10-21-22(15-17)25-13-12-24-21)16-18-5-3-7-20-19(18)6-4-8-23(20)27-2/h4,6,8-10,12-13,15,18H,3,5,7,11,14,16H2,1-2H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44.4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057094 (((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylm...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4ncccc4c3)CCCc12 Show InChI InChI=1S/C24H28N2O/c1-26(15-13-18-11-12-23-19(16-18)7-5-14-25-23)17-20-6-3-9-22-21(20)8-4-10-24(22)27-2/h4-5,7-8,10-12,14,16,20H,3,6,9,13,15,17H2,1-2H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	46.7	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057091 (CHEMBL10152 | [2-(1,1-Dioxo-1H-1lambda*6*-benzo[b]...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4c(C=CS4(=O)=O)c3)CCCc12 |c:18| Show InChI InChI=1S/C23H27NO3S/c1-24(13-11-17-9-10-23-18(15-17)12-14-28(23,25)26)16-19-5-3-7-21-20(19)6-4-8-22(21)27-2/h4,6,8-10,12,14-15,19H,3,5,7,11,13,16H2,1-2H3/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057136 ((2-Benzo[b]thiophen-5-yl-ethyl)-((R)-5-methoxy-1,2...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4sccc4c3)CCCc12 Show InChI InChI=1S/C23H27NOS/c1-24(13-11-17-9-10-23-18(15-17)12-14-26-23)16-19-5-3-7-21-20(19)6-4-8-22(21)25-2/h4,6,8-10,12,14-15,19H,3,5,7,11,13,16H2,1-2H3/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	52.8	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057097 ((2-Isoquinolin-7-yl-ethyl)-((R)-5-methoxy-1,2,3,4-...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4ccncc4c3)CCCc12 Show InChI InChI=1S/C24H28N2O/c1-26(14-12-18-9-10-19-11-13-25-16-21(19)15-18)17-20-5-3-7-23-22(20)6-4-8-24(23)27-2/h4,6,8-11,13,15-16,20H,3,5,7,12,14,17H2,1-2H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	53.9	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057123 (((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylm...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4CN(Cc4c3)S(=O)(=O)C(F)(F)F)CCCc12 Show InChI InChI=1S/C24H29F3N2O3S/c1-28(14-19-5-3-7-22-21(19)6-4-8-23(22)32-2)12-11-17-9-10-18-15-29(16-20(18)13-17)33(30,31)24(25,26)27/h4,6,8-10,13,19H,3,5,7,11-12,14-16H2,1-2H3/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59.8	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057134 ((2-Benzo[1,3]dioxol-5-yl-ethyl)-methyl-(6,7,8,9-te...) Show SMILES CN(CCc1ccc2OCOc2c1)CC1CCCc2c3OCOc3ccc12 Show InChI InChI=1S/C22H25NO4/c1-23(10-9-15-5-7-19-21(11-15)26-13-24-19)12-16-3-2-4-18-17(16)6-8-20-22(18)27-14-25-20/h5-8,11,16H,2-4,9-10,12-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60.3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057122 (5-{2-[((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4oc(=O)[nH]c4c3)CCCc12 Show InChI InChI=1S/C22H26N2O3/c1-24(12-11-15-9-10-21-19(13-15)23-22(25)27-21)14-16-5-3-7-18-17(16)6-4-8-20(18)26-2/h4,6,8-10,13,16H,3,5,7,11-12,14H2,1-2H3,(H,23,25)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68.3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057130 (CHEMBL274055 | [2-(2,3-Dihydro-1H-indol-6-yl)-ethy...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4CCNc4c3)CCCc12 Show InChI InChI=1S/C23H30N2O/c1-25(14-12-17-9-10-18-11-13-24-22(18)15-17)16-19-5-3-7-21-20(19)6-4-8-23(21)26-2/h4,6,8-10,15,19,24H,3,5,7,11-14,16H2,1-2H3/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	79.1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057107 (((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylm...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4nc(C)sc4c3)CCCc12 Show InChI InChI=1S/C23H28N2OS/c1-16-24-21-11-10-17(14-23(21)27-16)12-13-25(2)15-18-6-4-8-20-19(18)7-5-9-22(20)26-3/h5,7,9-11,14,18H,4,6,8,12-13,15H2,1-3H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86.7	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057139 ((2-Benzo[1,3]dioxol-5-yl-ethyl)-methyl-[(R)-1-(6,7...) Show SMILES CN(CCc1ccc2OCOc2c1)C[C@@H]1CCCc2c1ccc1ccoc21 Show InChI InChI=1S/C23H25NO3/c1-24(11-9-16-5-8-21-22(13-16)27-15-26-21)14-18-3-2-4-20-19(18)7-6-17-10-12-25-23(17)20/h5-8,10,12-13,18H,2-4,9,11,14-15H2,1H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057138 ((2-Benzo[1,3]dioxol-5-yl-ethyl)-methyl-(5-methylsu...) Show SMILES CSc1cccc2C(CN(C)CCc3ccc4OCOc4c3)CCCc12 Show InChI InChI=1S/C22H27NO2S/c1-23(12-11-16-9-10-20-21(13-16)25-15-24-20)14-17-5-3-7-19-18(17)6-4-8-22(19)26-2/h4,6,8-10,13,17H,3,5,7,11-12,14-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50058946 ((1S,2S,3S,4S)-3,4-Bis-[pentyl-(4-phenoxy-benzyl)-c...) Show SMILES CCCCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H]1[C@@H]([C@H]([C@H]1C(=O)N(CCCCC)Cc1ccc(Oc2ccccc2)cc1)C(O)=O)C(O)=O Show InChI InChI=1S/C44H50N2O8/c1-3-5-13-27-45(29-31-19-23-35(24-20-31)53-33-15-9-7-10-16-33)41(47)37-38(40(44(51)52)39(37)43(49)50)42(48)46(28-14-6-4-2)30-32-21-25-36(26-22-32)54-34-17-11-8-12-18-34/h7-12,15-26,37-40H,3-6,13-14,27-30H2,1-2H3,(H,49,50)(H,51,52)/t37-,38-,39-,40-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Squalene Synthase				J Med Chem 40: 2123-5 (1997) Article DOI: 10.1021/jm970058x BindingDB Entry DOI: 10.7270/Q2V9875N
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057143 (((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylm...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4N(CCc4c3)S(=O)(=O)C(F)(F)F)CCCc12 Show InChI InChI=1S/C24H29F3N2O3S/c1-28(16-19-5-3-7-21-20(19)6-4-8-23(21)32-2)13-11-17-9-10-22-18(15-17)12-14-29(22)33(30,31)24(25,26)27/h4,6,8-10,15,19H,3,5,7,11-14,16H2,1-2H3/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50058955 ((1S,2S,3S,4S)-3,4-Bis-[isopropyl-(4-phenoxy-benzyl...) Show SMILES CC(C)N(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H]1[C@@H]([C@H]([C@H]1C(=O)N(Cc1ccc(Oc2ccccc2)cc1)C(C)C)C(O)=O)C(O)=O Show InChI InChI=1S/C40H42N2O8/c1-25(2)41(23-27-15-19-31(20-16-27)49-29-11-7-5-8-12-29)37(43)33-34(36(40(47)48)35(33)39(45)46)38(44)42(26(3)4)24-28-17-21-32(22-18-28)50-30-13-9-6-10-14-30/h5-22,25-26,33-36H,23-24H2,1-4H3,(H,45,46)(H,47,48)/t33-,34-,35-,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Squalene Synthase				J Med Chem 40: 2123-5 (1997) Article DOI: 10.1021/jm970058x BindingDB Entry DOI: 10.7270/Q2V9875N
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057127 ((2-Benzo[1,3]dioxol-5-yl-ethyl)-ethyl-((R)-5-metho...) Show SMILES CCN(CCc1ccc2OCOc2c1)C[C@@H]1CCCc2c(OC)cccc12 Show InChI InChI=1S/C23H29NO3/c1-3-24(13-12-17-10-11-22-23(14-17)27-16-26-22)15-18-6-4-8-20-19(18)7-5-9-21(20)25-2/h5,7,9-11,14,18H,3-4,6,8,12-13,15-16H2,1-2H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50058949 ((1S,2S,3S,4S)-3,4-Bis-[ethyl-(4-phenoxy-benzyl)-ca...) Show SMILES CCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H]1[C@@H]([C@H]([C@H]1C(=O)N(CC)Cc1ccc(Oc2ccccc2)cc1)C(O)=O)C(O)=O Show InChI InChI=1S/C38H38N2O8/c1-3-39(23-25-15-19-29(20-16-25)47-27-11-7-5-8-12-27)35(41)31-32(34(38(45)46)33(31)37(43)44)36(42)40(4-2)24-26-17-21-30(22-18-26)48-28-13-9-6-10-14-28/h5-22,31-34H,3-4,23-24H2,1-2H3,(H,43,44)(H,45,46)/t31-,32-,33-,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Squalene Synthase				J Med Chem 40: 2123-5 (1997) Article DOI: 10.1021/jm970058x BindingDB Entry DOI: 10.7270/Q2V9875N
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057132 (((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylm...) Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4CCN(c4c3)S(=O)(=O)C(F)(F)F)CCCc12 Show InChI InChI=1S/C24H29F3N2O3S/c1-28(16-19-5-3-7-21-20(19)6-4-8-23(21)32-2)13-11-17-9-10-18-12-14-29(22(18)15-17)33(30,31)24(25,26)27/h4,6,8-10,15,19H,3,5,7,11-14,16H2,1-2H3/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	183	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair

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