Compile Data Set for Download or QSAR

Found 373 hits with Last Name = 'dos santos' and Initial = 'o'   

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))	BDBM50306472 (6-fluoro-3-(1-(2-(7-methoxybenzofuran-3-yl)ethyl)-...) Show SMILES COc1cccc2c(CCN3CCC(=CC3)c3c[nH]c4cc(F)ccc34)coc12 |c:13| Show InChI InChI=1S/C24H23FN2O2/c1-28-23-4-2-3-19-17(15-29-24(19)23)9-12-27-10-7-16(8-11-27)21-14-26-22-13-18(25)5-6-20(21)22/h2-7,13-15,26H,8-12H2,1H3	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
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50306469 (6-fluoro-3-(1-(2-(6-methoxybenzofuran-3-yl)ethyl)-...) Show SMILES COc1ccc2c(CCN3CCC(=CC3)c3c[nH]c4cc(F)ccc34)coc2c1 |c:12| Show InChI InChI=1S/C24H23FN2O2/c1-28-19-3-5-20-17(15-29-24(20)13-19)8-11-27-9-6-16(7-10-27)22-14-26-23-12-18(25)2-4-21(22)23/h2-6,12-15,26H,7-11H2,1H3	PDB KEGG UniProtKB/SwissProt 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
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50306480 (3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydro...) Show SMILES C(Cc1coc2ccccc12)N1CCC(=CC1)c1c[nH]c2ccccc12 |c:16| Show InChI InChI=1S/C23H22N2O/c1-3-7-22-20(6-1)21(15-24-22)17-9-12-25(13-10-17)14-11-18-16-26-23-8-4-2-5-19(18)23/h1-9,15-16,24H,10-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50306477 (6-fluoro-3-(1-(2-(7-methoxybenzofuran-3-yl)propyl)...) Show SMILES COc1cccc2c(coc12)C(C)CN1CCC(=CC1)c1c[nH]c2cc(F)ccc12 |c:19| Show InChI InChI=1S/C25H25FN2O2/c1-16(22-15-30-25-20(22)4-3-5-24(25)29-2)14-28-10-8-17(9-11-28)21-13-27-23-12-18(26)6-7-19(21)23/h3-8,12-13,15-16,27H,9-11,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50306479 (3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydro...) Show SMILES Fc1ccc2c(c[nH]c2c1)C1=CCN(CCc2coc3ccccc23)CC1 |t:12| Show InChI InChI=1S/C23H21FN2O/c24-18-5-6-20-21(14-25-22(20)13-18)16-7-10-26(11-8-16)12-9-17-15-27-23-4-2-1-3-19(17)23/h1-7,13-15,25H,8-12H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50306471 (3-(1-(2-(7-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-t...) Show SMILES COc1cccc2c(CCN3CCC(=CC3)c3c[nH]c4ccccc34)coc12 |c:13| Show InChI InChI=1S/C24H24N2O2/c1-27-23-8-4-6-19-18(16-28-24(19)23)11-14-26-12-9-17(10-13-26)21-15-25-22-7-3-2-5-20(21)22/h2-9,15-16,25H,10-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50306488 (3-(1-(2-(5-chlorobenzofuran-3-yl)ethyl)-1,2,3,6-te...) Show SMILES Fc1ccc2c(c[nH]c2c1)C1=CCN(CCc2coc3ccc(Cl)cc23)CC1 |t:12| Show InChI InChI=1S/C23H20ClFN2O/c24-17-1-4-23-20(11-17)16(14-28-23)7-10-27-8-5-15(6-9-27)21-13-26-22-12-18(25)2-3-19(21)22/h1-5,11-14,26H,6-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50306460 (3-(1-(2-(5-fluorobenzofuran-3-yl)ethyl)-1,2,3,6-te...) Show SMILES Fc1ccc2occ(CCN3CCC(=CC3)c3c[nH]c4ccccc34)c2c1 |c:13| Show InChI InChI=1S/C23H21FN2O/c24-18-5-6-23-20(13-18)17(15-27-23)9-12-26-10-7-16(8-11-26)21-14-25-22-4-2-1-3-19(21)22/h1-7,13-15,25H,8-12H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50306473 (5-fluoro-3-(1-(2-(7-methoxybenzofuran-3-yl)ethyl)-...) Show SMILES COc1cccc2c(CCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)coc12 |c:13| Show InChI InChI=1S/C24H23FN2O2/c1-28-23-4-2-3-19-17(15-29-24(19)23)9-12-27-10-7-16(8-11-27)21-14-26-22-6-5-18(25)13-20(21)22/h2-7,13-15,26H,8-12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50306474 (3-(1-(2-(7-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-t...) Show SMILES COc1cccc2c(CCN3CCC(=CC3)c3c[nH]c4ccc(cc34)C#N)coc12 |c:13| Show InChI InChI=1S/C25H23N3O2/c1-29-24-4-2-3-20-19(16-30-25(20)24)9-12-28-10-7-18(8-11-28)22-15-27-23-6-5-17(14-26)13-21(22)23/h2-7,13,15-16,27H,8-12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50306467 (3-(1-(2-(6-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-t...) Show SMILES COc1ccc2c(CCN3CCC(=CC3)c3c[nH]c4ccccc34)coc2c1 |c:12| Show InChI InChI=1S/C24H24N2O2/c1-27-19-6-7-20-18(16-28-24(20)14-19)10-13-26-11-8-17(9-12-26)22-15-25-23-5-3-2-4-21(22)23/h2-8,14-16,25H,9-13H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50306470 (3-(1-(2-(6-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-t...) Show SMILES COc1ccc2c(CCN3CCC(=CC3)c3c[nH]c4ccc(cc34)C#N)coc2c1 |c:12| Show InChI InChI=1S/C25H23N3O2/c1-29-20-3-4-21-19(16-30-25(21)13-20)8-11-28-9-6-18(7-10-28)23-15-27-24-5-2-17(14-26)12-22(23)24/h2-6,12-13,15-16,27H,7-11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50306485 (3-(1-(2-(6-chlorobenzofuran-3-yl)ethyl)-1,2,3,6-te...) Show SMILES Fc1ccc2c(c[nH]c2c1)C1=CCN(CCc2coc3cc(Cl)ccc23)CC1 |t:12| Show InChI InChI=1S/C23H20ClFN2O/c24-17-1-3-19-16(14-28-23(19)11-17)7-10-27-8-5-15(6-9-27)21-13-26-22-12-18(25)2-4-20(21)22/h1-5,11-14,26H,6-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50306468 (5-fluoro-3-(1-(2-(6-methoxybenzofuran-3-yl)ethyl)-...) Show SMILES COc1ccc2c(CCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)coc2c1 |c:12| Show InChI InChI=1S/C24H23FN2O2/c1-28-19-3-4-20-17(15-29-24(20)13-19)8-11-27-9-6-16(7-10-27)22-14-26-23-5-2-18(25)12-21(22)23/h2-6,12-15,26H,7-11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50306475 (3-(1-(2-(7-methoxybenzofuran-3-yl)propyl)-1,2,3,6-...) Show SMILES COc1cccc2c(coc12)C(C)CN1CCC(=CC1)c1c[nH]c2ccccc12 |c:19| Show InChI InChI=1S/C25H26N2O2/c1-17(22-16-29-25-20(22)7-5-9-24(25)28-2)15-27-12-10-18(11-13-27)21-14-26-23-8-4-3-6-19(21)23/h3-10,14,16-17,26H,11-13,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50306461 (3-(1-(2-(5-fluorobenzofuran-3-yl)ethyl)-1,2,3,6-te...) Show SMILES Fc1ccc2occ(CCN3CCC(=CC3)c3c[nH]c4ccc(cc34)C#N)c2c1 |c:13| Show InChI InChI=1S/C24H20FN3O/c25-19-2-4-24-20(12-19)18(15-29-24)7-10-28-8-5-17(6-9-28)22-14-27-23-3-1-16(13-26)11-21(22)23/h1-5,11-12,14-15,27H,6-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50306474 (3-(1-(2-(7-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-t...) Show SMILES COc1cccc2c(CCN3CCC(=CC3)c3c[nH]c4ccc(cc34)C#N)coc12 |c:13| Show InChI InChI=1S/C25H23N3O2/c1-29-24-4-2-3-20-19(16-30-25(20)24)9-12-28-10-7-18(8-11-28)22-15-27-23-6-5-17(14-26)13-21(22)23/h2-7,13,15-16,27H,8-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50306465 (6-fluoro-3-(1-(2-(5-methoxybenzofuran-3-yl)ethyl)-...) Show SMILES COc1ccc2occ(CCN3CCC(=CC3)c3c[nH]c4cc(F)ccc34)c2c1 |c:14| Show InChI InChI=1S/C24H23FN2O2/c1-28-19-3-5-24-21(13-19)17(15-29-24)8-11-27-9-6-16(7-10-27)22-14-26-23-12-18(25)2-4-20(22)23/h2-6,12-15,26H,7-11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50306471 (3-(1-(2-(7-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-t...) Show SMILES COc1cccc2c(CCN3CCC(=CC3)c3c[nH]c4ccccc34)coc12 |c:13| Show InChI InChI=1S/C24H24N2O2/c1-27-23-8-4-6-19-18(16-28-24(19)23)11-14-26-12-9-17(10-13-26)21-15-25-22-7-3-2-5-20(21)22/h2-9,15-16,25H,10-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50306462 (5-fluoro-3-(1-(2-(5-fluorobenzofuran-3-yl)ethyl)-1...) Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCc4coc5ccc(F)cc45)CC3)c2c1 |t:8| Show InChI InChI=1S/C23H20F2N2O/c24-17-1-3-22-20(12-17)21(13-26-22)15-5-8-27(9-6-15)10-7-16-14-28-23-4-2-18(25)11-19(16)23/h1-5,11-14,26H,6-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50306473 (5-fluoro-3-(1-(2-(7-methoxybenzofuran-3-yl)ethyl)-...) Show SMILES COc1cccc2c(CCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)coc12 |c:13| Show InChI InChI=1S/C24H23FN2O2/c1-28-23-4-2-3-19-17(15-29-24(19)23)9-12-27-10-7-16(8-11-27)21-14-26-22-6-5-18(25)13-20(21)22/h2-7,13-15,26H,8-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50306463 (3-(1-(2-(5-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-t...) Show SMILES COc1ccc2occ(CCN3CCC(=CC3)c3c[nH]c4ccccc34)c2c1 |c:14| Show InChI InChI=1S/C24H24N2O2/c1-27-19-6-7-24-21(14-19)18(16-28-24)10-13-26-11-8-17(9-12-26)22-15-25-23-5-3-2-4-20(22)23/h2-8,14-16,25H,9-13H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50306472 (6-fluoro-3-(1-(2-(7-methoxybenzofuran-3-yl)ethyl)-...) Show SMILES COc1cccc2c(CCN3CCC(=CC3)c3c[nH]c4cc(F)ccc34)coc12 |c:13| Show InChI InChI=1S/C24H23FN2O2/c1-28-23-4-2-3-19-17(15-29-24(19)23)9-12-27-10-7-16(8-11-27)21-14-26-22-13-18(25)5-6-20(21)22/h2-7,13-15,26H,8-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50306483 (3-(1-(2-(6-chlorobenzofuran-3-yl)ethyl)-1,2,3,6-te...) Show SMILES Clc1ccc2c(CCN3CCC(=CC3)c3c[nH]c4ccccc34)coc2c1 |c:11| Show InChI InChI=1S/C23H21ClN2O/c24-18-5-6-19-17(15-27-23(19)13-18)9-12-26-10-7-16(8-11-26)21-14-25-22-4-2-1-3-20(21)22/h1-7,13-15,25H,8-12H2	PDB KEGG UniProtKB/SwissProt 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
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50306470 (3-(1-(2-(6-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-t...) Show SMILES COc1ccc2c(CCN3CCC(=CC3)c3c[nH]c4ccc(cc34)C#N)coc2c1 |c:12| Show InChI InChI=1S/C25H23N3O2/c1-29-20-3-4-21-19(16-30-25(21)13-20)8-11-28-9-6-18(7-10-28)23-15-27-24-5-2-17(14-26)12-22(23)24/h2-6,12-13,15-16,27H,7-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50306476 (5-fluoro-3-(1-(2-(7-methoxybenzofuran-3-yl)propyl)...) Show SMILES COc1cccc2c(coc12)C(C)CN1CCC(=CC1)c1c[nH]c2ccc(F)cc12 |c:19| Show InChI InChI=1S/C25H25FN2O2/c1-16(22-15-30-25-19(22)4-3-5-24(25)29-2)14-28-10-8-17(9-11-28)21-13-27-23-7-6-18(26)12-20(21)23/h3-8,12-13,15-16,27H,9-11,14H2,1-2H3	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
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50306478 (3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydro...) Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCc4coc5ccccc45)CC3)c2c1 |t:8| Show InChI InChI=1S/C23H21FN2O/c24-18-5-6-22-20(13-18)21(14-25-22)16-7-10-26(11-8-16)12-9-17-15-27-23-4-2-1-3-19(17)23/h1-7,13-15,25H,8-12H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50306486 (3-(1-(2-(5-chlorobenzofuran-3-yl)ethyl)-1,2,3,6-te...) Show SMILES Clc1ccc2occ(CCN3CCC(=CC3)c3c[nH]c4ccccc34)c2c1 |c:13| Show InChI InChI=1S/C23H21ClN2O/c24-18-5-6-23-20(13-18)17(15-27-23)9-12-26-10-7-16(8-11-26)21-14-25-22-4-2-1-3-19(21)22/h1-7,13-15,25H,8-12H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50306487 (3-(1-(2-(5-chlorobenzofuran-3-yl)ethyl)-1,2,3,6-te...) Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCc4coc5ccc(Cl)cc45)CC3)c2c1 |t:8| Show InChI InChI=1S/C23H20ClFN2O/c24-17-1-4-23-19(11-17)16(14-28-23)7-10-27-8-5-15(6-9-27)21-13-26-22-3-2-18(25)12-20(21)22/h1-5,11-14,26H,6-10H2	PDB 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
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50306475 (3-(1-(2-(7-methoxybenzofuran-3-yl)propyl)-1,2,3,6-...) Show SMILES COc1cccc2c(coc12)C(C)CN1CCC(=CC1)c1c[nH]c2ccccc12 |c:19| Show InChI InChI=1S/C25H26N2O2/c1-17(22-16-29-25-20(22)7-5-9-24(25)28-2)15-27-12-10-18(11-13-27)21-14-26-23-8-4-3-6-19(21)23/h3-10,14,16-17,26H,11-13,15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50306480 (3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydro...) Show SMILES C(Cc1coc2ccccc12)N1CCC(=CC1)c1c[nH]c2ccccc12 |c:16| Show InChI InChI=1S/C23H22N2O/c1-3-7-22-20(6-1)21(15-24-22)17-9-12-25(13-10-17)14-11-18-16-26-23-8-4-2-5-19(18)23/h1-9,15-16,24H,10-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50306466 (7-ethyl-3-(1-(2-(5-methoxybenzofuran-3-yl)ethyl)-1...) Show SMILES CCc1cccc2c(c[nH]c12)C1=CCN(CCc2coc3ccc(OC)cc23)CC1 |t:13| Show InChI InChI=1S/C26H28N2O2/c1-3-18-5-4-6-22-24(16-27-26(18)22)19-9-12-28(13-10-19)14-11-20-17-30-25-8-7-21(29-2)15-23(20)25/h4-9,15-17,27H,3,10-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50306461 (3-(1-(2-(5-fluorobenzofuran-3-yl)ethyl)-1,2,3,6-te...) Show SMILES Fc1ccc2occ(CCN3CCC(=CC3)c3c[nH]c4ccc(cc34)C#N)c2c1 |c:13| Show InChI InChI=1S/C24H20FN3O/c25-19-2-4-24-20(12-19)18(15-29-24)7-10-28-8-5-17(6-9-28)22-14-27-23-3-1-16(13-26)11-21(22)23/h1-5,11-12,14-15,27H,6-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50306464 (5-fluoro-3-(1-(2-(5-methoxybenzofuran-3-yl)ethyl)-...) Show SMILES COc1ccc2occ(CCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)c2c1 |c:14| Show InChI InChI=1S/C24H23FN2O2/c1-28-19-3-5-24-20(13-19)17(15-29-24)8-11-27-9-6-16(7-10-27)22-14-26-23-4-2-18(25)12-21(22)23/h2-6,12-15,26H,7-11H2,1H3	PDB 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
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50306467 (3-(1-(2-(6-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-t...) Show SMILES COc1ccc2c(CCN3CCC(=CC3)c3c[nH]c4ccccc34)coc2c1 |c:12| Show InChI InChI=1S/C24H24N2O2/c1-27-19-6-7-20-18(16-28-24(20)14-19)10-13-26-11-8-17(9-12-26)22-15-25-23-5-3-2-4-21(22)23/h2-8,14-16,25H,9-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50306479 (3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydro...) Show SMILES Fc1ccc2c(c[nH]c2c1)C1=CCN(CCc2coc3ccccc23)CC1 |t:12| Show InChI InChI=1S/C23H21FN2O/c24-18-5-6-20-21(14-25-22(20)13-18)16-7-10-26(11-8-16)12-9-17-15-27-23-4-2-1-3-19(17)23/h1-7,13-15,25H,8-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50306468 (5-fluoro-3-(1-(2-(6-methoxybenzofuran-3-yl)ethyl)-...) Show SMILES COc1ccc2c(CCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)coc2c1 |c:12| Show InChI InChI=1S/C24H23FN2O2/c1-28-19-3-4-20-17(15-29-24(20)13-19)8-11-27-9-6-16(7-10-27)22-14-26-23-5-2-18(25)12-21(22)23/h2-6,12-15,26H,7-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50306482 (3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydro...) Show SMILES N#Cc1ccc2[nH]cc(C3=CCN(CCc4coc5ccccc45)CC3)c2c1 |t:9| Show InChI InChI=1S/C24H21N3O/c25-14-17-5-6-23-21(13-17)22(15-26-23)18-7-10-27(11-8-18)12-9-19-16-28-24-4-2-1-3-20(19)24/h1-7,13,15-16,26H,8-12H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50306481 (3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydro...) Show SMILES CCc1cccc2c(c[nH]c12)C1=CCN(CCc2coc3ccccc23)CC1 |t:13| Show InChI InChI=1S/C25H26N2O/c1-2-18-6-5-8-22-23(16-26-25(18)22)19-10-13-27(14-11-19)15-12-20-17-28-24-9-4-3-7-21(20)24/h3-10,16-17,26H,2,11-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	156	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50306460 (3-(1-(2-(5-fluorobenzofuran-3-yl)ethyl)-1,2,3,6-te...) Show SMILES Fc1ccc2occ(CCN3CCC(=CC3)c3c[nH]c4ccccc34)c2c1 |c:13| Show InChI InChI=1S/C23H21FN2O/c24-18-5-6-23-20(13-18)17(15-27-23)9-12-26-10-7-16(8-11-26)21-14-25-22-4-2-1-3-19(21)22/h1-7,13-15,25H,8-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50306478 (3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydro...) Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCc4coc5ccccc45)CC3)c2c1 |t:8| Show InChI InChI=1S/C23H21FN2O/c24-18-5-6-22-20(13-18)21(14-25-22)16-7-10-26(11-8-16)12-9-17-15-27-23-4-2-1-3-19(17)23/h1-7,13-15,25H,8-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	248	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50306462 (5-fluoro-3-(1-(2-(5-fluorobenzofuran-3-yl)ethyl)-1...) Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCc4coc5ccc(F)cc45)CC3)c2c1 |t:8| Show InChI InChI=1S/C23H20F2N2O/c24-17-1-3-22-20(12-17)21(13-26-22)15-5-8-27(9-6-15)10-7-16-14-28-23-4-2-18(25)11-19(16)23/h1-5,11-14,26H,6-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50306484 (3-(1-(2-(6-chlorobenzofuran-3-yl)ethyl)-1,2,3,6-te...) Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCc4coc5cc(Cl)ccc45)CC3)c2c1 |t:8| Show InChI InChI=1S/C23H20ClFN2O/c24-17-1-3-19-16(14-28-23(19)11-17)7-10-27-8-5-15(6-9-27)21-13-26-22-4-2-18(25)12-20(21)22/h1-5,11-14,26H,6-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50306469 (6-fluoro-3-(1-(2-(6-methoxybenzofuran-3-yl)ethyl)-...) Show SMILES COc1ccc2c(CCN3CCC(=CC3)c3c[nH]c4cc(F)ccc34)coc2c1 |c:12| Show InChI InChI=1S/C24H23FN2O2/c1-28-19-3-5-20-17(15-29-24(20)13-19)8-11-27-9-6-16(7-10-27)22-14-26-23-12-18(25)2-4-21(22)23/h2-6,12-15,26H,7-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	303	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 824-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.093 BindingDB Entry DOI: 10.7270/Q2B56JVJ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50327426 (1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...) Show SMILES OCCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C28H33N7O4/c36-14-11-19-1-5-21(6-2-19)29-28(37)30-22-7-3-20(4-8-22)25-31-26(34-12-15-38-16-13-34)33-27(32-25)35-23-9-10-24(35)18-39-17-23/h1-8,23-24,36H,9-18H2,(H2,29,30,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 5869-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.104 BindingDB Entry DOI: 10.7270/Q2XP755V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50308135 (1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...) Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				J Med Chem 53: 2636-45 (2010) Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50308156 (CHEMBL592615 | N-[2-(Dimethylamino)ethyl]-4-({[4-(...) Show SMILES CN(C)CCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C29H37N9O4/c1-36(2)12-11-30-26(39)22-5-9-24(10-6-22)32-29(40)31-23-7-3-21(4-8-23)25-33-27(37-13-17-41-18-14-37)35-28(34-25)38-15-19-42-20-16-38/h3-10H,11-20H2,1-2H3,(H,30,39)(H2,31,32,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				J Med Chem 53: 2636-45 (2010) Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191378 (CHEMBL212163 | sodium (R,E)-6-((6,8-dihydro-5H-imi...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCOCc2n1 |t:3| Show InChI InChI=1S/C13H11N3O4S/c17-11-8(12-16(11)9(6-21-12)13(18)19)3-7-4-15-1-2-20-5-10(15)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b8-3+/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50378663 (CHEMBL1204015) Show SMILES CN(C)CCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C30H39N9O4/c1-36(2)12-13-37(3)27(40)23-6-10-25(11-7-23)32-30(41)31-24-8-4-22(5-9-24)26-33-28(38-14-18-42-19-15-38)35-29(34-26)39-16-20-43-21-17-39/h4-11H,12-21H2,1-3H3,(H2,31,32,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				J Med Chem 53: 2636-45 (2010) Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50327419 (1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...) Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2 Show InChI InChI=1S/C25H28N8O3/c34-25(28-19-7-9-26-10-8-19)27-18-3-1-17(2-4-18)22-29-23(32-11-13-35-14-12-32)31-24(30-22)33-20-5-6-21(33)16-36-15-20/h1-4,7-10,20-21H,5-6,11-16H2,(H2,26,27,28,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 5869-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.104 BindingDB Entry DOI: 10.7270/Q2XP755V
					More data for this Ligand-Target Pair

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