Compile Data Set for Download or QSAR

Found 184 hits with Last Name = 'wedley' and Initial = 's'   

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))	BDBM50145347 (1-(2-(4-(6-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H26FN3O2/c26-19-2-4-21-22(15-28-23(21)14-19)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-5,13-15,24,28H,6-12H2,(H2,27,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50451852 (CHEMBL1159649) Show SMILES NC(=O)c1ccc2[C@@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1 |r,c:13| Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50145355 (1-{2-[4-(6,7-Dichloro-1H-indol-3-yl)-3,6-dihydro-2...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(Cl)c(Cl)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H25Cl2N3O2/c26-21-4-3-19-20(14-29-24(19)23(21)27)15-5-9-30(10-6-15)11-7-22-18-2-1-17(25(28)31)13-16(18)8-12-32-22/h1-5,13-14,22,29H,6-12H2,(H2,28,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50145343 (1-{2-[4-(6-Fluoro-benzofuran-3-yl)-3,6-dihydro-2H-...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3coc4cc(F)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H25FN2O3/c26-19-2-4-21-22(15-31-24(21)14-19)16-5-9-28(10-6-16)11-7-23-20-3-1-18(25(27)29)13-17(20)8-12-30-23/h1-5,13-15,23H,6-12H2,(H2,27,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50366907 (CHEMBL1169435) Show SMILES NC(=O)c1ccc2[C@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1 |r,c:13| Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50145356 (1-{2-[4-(6,7-Difluoro-1H-indol-3-yl)-3,6-dihydro-2...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(F)c(F)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H25F2N3O2/c26-21-4-3-19-20(14-29-24(19)23(21)27)15-5-9-30(10-6-15)11-7-22-18-2-1-17(25(28)31)13-16(18)8-12-32-22/h1-5,13-14,22,29H,6-12H2,(H2,28,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50145342 (1-{2-[4-(6-Chloro-1H-indol-3-yl)-3,6-dihydro-2H-py...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(Cl)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H26ClN3O2/c26-19-2-4-21-22(15-28-23(21)14-19)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-5,13-15,24,28H,6-12H2,(H2,27,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50145354 (1-{2-[4-(6-Fluoro-1H-indazol-3-yl)-3,6-dihydro-2H-...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3[nH]nc4cc(F)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C24H25FN4O2/c25-18-2-4-20-21(14-18)27-28-23(20)15-5-9-29(10-6-15)11-7-22-19-3-1-17(24(26)30)13-16(19)8-12-31-22/h1-5,13-14,22H,6-12H2,(H2,26,30)(H,27,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50145350 (1-{2-[4-(6-Fluoro-1-methyl-1H-indazol-3-yl)-3,6-di...) Show SMILES Cn1nc(C2=CCN(CCC3OCCc4cc(ccc34)C(N)=O)CC2)c2ccc(F)cc12 |t:4| Show InChI InChI=1S/C25H27FN4O2/c1-29-22-15-19(26)3-5-21(22)24(28-29)16-6-10-30(11-7-16)12-8-23-20-4-2-18(25(27)31)14-17(20)9-13-32-23/h2-6,14-15,23H,7-13H2,1H3,(H2,27,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50145349 (1-{2-[4-(7-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50145338 (1-{2-[(S)-4-(6-Fluoro-1H-indol-3-yl)-2-methyl-pipe...) Show SMILES C[C@H]1CC(CCN1CCC1OCCc2cc(ccc12)C(N)=O)c1c[nH]c2cc(F)ccc12 Show InChI InChI=1S/C26H30FN3O2/c1-16-12-17(23-15-29-24-14-20(27)3-5-22(23)24)6-9-30(16)10-7-25-21-4-2-19(26(28)31)13-18(21)8-11-32-25/h2-5,13-17,25,29H,6-12H2,1H3,(H2,28,31)/t16-,17?,25?/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50145344 (1-{2-[4-(6-Fluoro-1-methyl-1H-indol-3-yl)-3,6-dihy...) Show SMILES Cn1cc(C2=CCN(CCC3OCCc4cc(ccc34)C(N)=O)CC2)c2ccc(F)cc12 |t:4| Show InChI InChI=1S/C26H28FN3O2/c1-29-16-23(22-5-3-20(27)15-24(22)29)17-6-10-30(11-7-17)12-8-25-21-4-2-19(26(28)31)14-18(21)9-13-32-25/h2-6,14-16,25H,7-13H2,1H3,(H2,28,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50145346 (1-{2-[4-(6-Trifluoromethyl-1H-indol-3-yl)-3,6-dihy...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(ccc34)C(F)(F)F)OCCc2c1 |c:13| Show InChI InChI=1S/C26H26F3N3O2/c27-26(28,29)19-2-4-21-22(15-31-23(21)14-19)16-5-9-32(10-6-16)11-7-24-20-3-1-18(25(30)33)13-17(20)8-12-34-24/h1-5,13-15,24,31H,6-12H2,(H2,30,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50145336 (1-{2-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-3,6-dihyd...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3csc4cc(F)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H25FN2O2S/c26-19-2-4-21-22(15-31-24(21)14-19)16-5-9-28(10-6-16)11-7-23-20-3-1-18(25(27)29)13-17(20)8-12-30-23/h1-5,13-15,23H,6-12H2,(H2,27,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50145352 (1-{2-[3-(6-Fluoro-1H-indol-3-yl)-pyrrolidin-1-yl]-...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(C3)c3c[nH]c4cc(F)ccc34)OCCc2c1 Show InChI InChI=1S/C24H26FN3O2/c25-18-2-4-20-21(13-27-22(20)12-18)17-5-8-28(14-17)9-6-23-19-3-1-16(24(26)29)11-15(19)7-10-30-23/h1-4,11-13,17,23,27H,5-10,14H2,(H2,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50145341 (1-{2-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H26FN3O2/c26-19-2-4-23-21(14-19)22(15-28-23)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-5,13-15,24,28H,6-12H2,(H2,27,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50451852 (CHEMBL1159649) Show SMILES NC(=O)c1ccc2[C@@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1 |r,c:13| Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50451853 (CHEMBL2112307) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3ccc(F)c4ccoc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H25FN2O3/c26-22-4-3-20(24-21(22)9-14-31-24)16-5-10-28(11-6-16)12-7-23-19-2-1-18(25(27)29)15-17(19)8-13-30-23/h1-5,9,14-15,23H,6-8,10-13H2,(H2,27,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50145337 (1-{2-[4-(6-Fluoro-1H-indol-3-yl)-piperidin-1-yl]-e...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1 Show InChI InChI=1S/C25H28FN3O2/c26-19-2-4-21-22(15-28-23(21)14-19)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-4,13-16,24,28H,5-12H2,(H2,27,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50145354 (1-{2-[4-(6-Fluoro-1H-indazol-3-yl)-3,6-dihydro-2H-...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3[nH]nc4cc(F)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C24H25FN4O2/c25-18-2-4-20-21(14-18)27-28-23(20)15-5-9-29(10-6-15)11-7-22-19-3-1-17(24(26)30)13-16(19)8-12-31-22/h1-5,13-14,22H,6-12H2,(H2,26,30)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50145352 (1-{2-[3-(6-Fluoro-1H-indol-3-yl)-pyrrolidin-1-yl]-...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(C3)c3c[nH]c4cc(F)ccc34)OCCc2c1 Show InChI InChI=1S/C24H26FN3O2/c25-18-2-4-20-21(13-27-22(20)12-18)17-5-8-28(14-17)9-6-23-19-3-1-16(24(26)29)11-15(19)7-10-30-23/h1-4,11-13,17,23,27H,5-10,14H2,(H2,26,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50145357 (1-{2-[4-(7-Cyano-1H-indol-3-yl)-3,6-dihydro-2H-pyr...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(cccc34)C#N)OCCc2c1 |c:13| Show InChI InChI=1S/C26H26N4O2/c27-15-20-2-1-3-22-23(16-29-25(20)22)17-6-10-30(11-7-17)12-8-24-21-5-4-19(26(28)31)14-18(21)9-13-32-24/h1-6,14,16,24,29H,7-13H2,(H2,28,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50145341 (1-{2-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H26FN3O2/c26-19-2-4-23-21(14-19)22(15-28-23)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-5,13-15,24,28H,6-12H2,(H2,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50145351 (1-{2-[4-(6-Fluoro-naphthalen-2-yl)-3,6-dihydro-2H-...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3ccc4cc(F)ccc4c3)OCCc2c1 |c:13| Show InChI InChI=1S/C27H27FN2O2/c28-24-5-3-20-15-19(1-2-21(20)17-24)18-7-11-30(12-8-18)13-9-26-25-6-4-23(27(29)31)16-22(25)10-14-32-26/h1-7,15-17,26H,8-14H2,(H2,29,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50366907 (CHEMBL1169435) Show SMILES NC(=O)c1ccc2[C@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1 |r,c:13| Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50145343 (1-{2-[4-(6-Fluoro-benzofuran-3-yl)-3,6-dihydro-2H-...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3coc4cc(F)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H25FN2O3/c26-19-2-4-21-22(15-31-24(21)14-19)16-5-9-28(10-6-16)11-7-23-20-3-1-18(25(27)29)13-17(20)8-12-30-23/h1-5,13-15,23H,6-12H2,(H2,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50145339 (1-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-3,6-dihyd...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3noc4cc(F)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C24H24FN3O3/c25-18-2-4-20-22(14-18)31-27-23(20)15-5-9-28(10-6-15)11-7-21-19-3-1-17(24(26)29)13-16(19)8-12-30-21/h1-5,13-14,21H,6-12H2,(H2,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50145333 (1-[2-(4-Naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-y...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3cccc4ccccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C27H28N2O2/c28-27(30)22-8-9-25-21(18-22)13-17-31-26(25)12-16-29-14-10-20(11-15-29)24-7-3-5-19-4-1-2-6-23(19)24/h1-10,18,26H,11-17H2,(H2,28,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50145332 (1-{2-[4-(5-Methoxy-1H-indol-3-yl)-3,6-dihydro-2H-p...) Show SMILES COc1ccc2[nH]cc(C3=CCN(CCC4OCCc5cc(ccc45)C(N)=O)CC3)c2c1 |t:9| Show InChI InChI=1S/C26H29N3O3/c1-31-20-3-5-24-22(15-20)23(16-28-24)17-6-10-29(11-7-17)12-8-25-21-4-2-19(26(27)30)14-18(21)9-13-32-25/h2-6,14-16,25,28H,7-13H2,1H3,(H2,27,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50145336 (1-{2-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-3,6-dihyd...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3csc4cc(F)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H25FN2O2S/c26-19-2-4-21-22(15-31-24(21)14-19)16-5-9-28(10-6-16)11-7-23-20-3-1-18(25(27)29)13-17(20)8-12-30-23/h1-5,13-15,23H,6-12H2,(H2,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50145349 (1-{2-[4-(7-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50145347 (1-(2-(4-(6-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H26FN3O2/c26-19-2-4-21-22(15-28-23(21)14-19)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-5,13-15,24,28H,6-12H2,(H2,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50145333 (1-[2-(4-Naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-y...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3cccc4ccccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C27H28N2O2/c28-27(30)22-8-9-25-21(18-22)13-17-31-26(25)12-16-29-14-10-20(11-15-29)24-7-3-5-19-4-1-2-6-23(19)24/h1-10,18,26H,11-17H2,(H2,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 1D receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50145334 (1-{2-[4-(6-Fluoro-1H-indol-3-yl)-piperazin-1-yl]-e...) Show SMILES NC(=O)c1ccc2C(CCN3CCN(CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1 Show InChI InChI=1S/C24H27FN4O2/c25-18-2-4-20-21(14-18)27-15-22(20)29-10-8-28(9-11-29)7-5-23-19-3-1-17(24(26)30)13-16(19)6-12-31-23/h1-4,13-15,23,27H,5-12H2,(H2,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50145356 (1-{2-[4-(6,7-Difluoro-1H-indol-3-yl)-3,6-dihydro-2...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(F)c(F)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H25F2N3O2/c26-21-4-3-19-20(14-29-24(19)23(21)27)15-5-9-30(10-6-15)11-7-22-18-2-1-17(25(28)31)13-16(18)8-12-32-22/h1-5,13-14,22,29H,6-12H2,(H2,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50366907 (CHEMBL1169435) Show SMILES NC(=O)c1ccc2[C@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1 |r,c:13| Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50145334 (1-{2-[4-(6-Fluoro-1H-indol-3-yl)-piperazin-1-yl]-e...) Show SMILES NC(=O)c1ccc2C(CCN3CCN(CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1 Show InChI InChI=1S/C24H27FN4O2/c25-18-2-4-20-21(14-18)27-15-22(20)29-10-8-28(9-11-29)7-5-23-19-3-1-17(24(26)30)13-16(19)6-12-31-23/h1-4,13-15,23,27H,5-12H2,(H2,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50145339 (1-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-3,6-dihyd...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3noc4cc(F)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C24H24FN3O3/c25-18-2-4-20-22(14-18)31-27-23(20)15-5-9-28(10-6-15)11-7-21-19-3-1-17(24(26)29)13-16(19)8-12-30-21/h1-5,13-14,21H,6-12H2,(H2,26,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50145337 (1-{2-[4-(6-Fluoro-1H-indol-3-yl)-piperidin-1-yl]-e...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1 Show InChI InChI=1S/C25H28FN3O2/c26-19-2-4-21-22(15-28-23(21)14-19)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-4,13-16,24,28H,5-12H2,(H2,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 1D receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50145346 (1-{2-[4-(6-Trifluoromethyl-1H-indol-3-yl)-3,6-dihy...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(ccc34)C(F)(F)F)OCCc2c1 |c:13| Show InChI InChI=1S/C26H26F3N3O2/c27-26(28,29)19-2-4-21-22(15-31-23(21)14-19)16-5-9-32(10-6-16)11-7-24-20-3-1-18(25(30)33)13-17(20)8-12-34-24/h1-5,13-15,24,31H,6-12H2,(H2,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50145337 (1-{2-[4-(6-Fluoro-1H-indol-3-yl)-piperidin-1-yl]-e...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1 Show InChI InChI=1S/C25H28FN3O2/c26-19-2-4-21-22(15-28-23(21)14-19)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-4,13-16,24,28H,5-12H2,(H2,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50145353 (1-{2-[4-(7-Fluoro-naphthalen-1-yl)-3,6-dihydro-2H-...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3cccc4ccc(F)cc34)OCCc2c1 |c:13| Show InChI InChI=1S/C27H27FN2O2/c28-22-6-4-18-2-1-3-23(25(18)17-22)19-8-12-30(13-9-19)14-10-26-24-7-5-21(27(29)31)16-20(24)11-15-32-26/h1-8,16-17,26H,9-15H2,(H2,29,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50145345 (1-[2-(4-Naphthalen-1-yl-piperidin-1-yl)-ethyl]-iso...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(CC3)c3cccc4ccccc34)OCCc2c1 Show InChI InChI=1S/C27H30N2O2/c28-27(30)22-8-9-25-21(18-22)13-17-31-26(25)12-16-29-14-10-20(11-15-29)24-7-3-5-19-4-1-2-6-23(19)24/h1-9,18,20,26H,10-17H2,(H2,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 1D receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50145357 (1-{2-[4-(7-Cyano-1H-indol-3-yl)-3,6-dihydro-2H-pyr...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(cccc34)C#N)OCCc2c1 |c:13| Show InChI InChI=1S/C26H26N4O2/c27-15-20-2-1-3-22-23(16-29-25(20)22)17-6-10-30(11-7-17)12-8-24-21-5-4-19(26(28)31)14-18(21)9-13-32-24/h1-6,14,16,24,29H,7-13H2,(H2,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50366907 (CHEMBL1169435) Show SMILES NC(=O)c1ccc2[C@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1 |r,c:13| Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 1D receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50145345 (1-[2-(4-Naphthalen-1-yl-piperidin-1-yl)-ethyl]-iso...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(CC3)c3cccc4ccccc34)OCCc2c1 Show InChI InChI=1S/C27H30N2O2/c28-27(30)22-8-9-25-21(18-22)13-17-31-26(25)12-16-29-14-10-20(11-15-29)24-7-3-5-19-4-1-2-6-23(19)24/h1-9,18,20,26H,10-17H2,(H2,28,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50145347 (1-(2-(4-(6-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H26FN3O2/c26-19-2-4-21-22(15-28-23(21)14-19)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-5,13-15,24,28H,6-12H2,(H2,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50145350 (1-{2-[4-(6-Fluoro-1-methyl-1H-indazol-3-yl)-3,6-di...) Show SMILES Cn1nc(C2=CCN(CCC3OCCc4cc(ccc34)C(N)=O)CC2)c2ccc(F)cc12 |t:4| Show InChI InChI=1S/C25H27FN4O2/c1-29-22-15-19(26)3-5-21(22)24(28-29)16-6-10-30(11-7-16)12-8-23-20-4-2-18(25(27)31)14-17(20)9-13-32-23/h2-6,14-15,23H,7-13H2,1H3,(H2,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50145356 (1-{2-[4-(6,7-Difluoro-1H-indol-3-yl)-3,6-dihydro-2...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(F)c(F)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H25F2N3O2/c26-21-4-3-19-20(14-29-24(19)23(21)27)15-5-9-30(10-6-15)11-7-22-18-2-1-17(25(28)31)13-16(18)8-12-32-22/h1-5,13-14,22,29H,6-12H2,(H2,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50145344 (1-{2-[4-(6-Fluoro-1-methyl-1H-indol-3-yl)-3,6-dihy...) Show SMILES Cn1cc(C2=CCN(CCC3OCCc4cc(ccc34)C(N)=O)CC2)c2ccc(F)cc12 |t:4| Show InChI InChI=1S/C26H28FN3O2/c1-29-16-23(22-5-3-20(27)15-24(22)29)17-6-10-30(11-7-17)12-8-25-21-4-2-19(26(28)31)14-18(21)9-13-32-25/h2-6,14-16,25H,7-13H2,1H3,(H2,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 184 total )  |  Next  |  Last  >>

Jump to: