Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'reynolds' and Initial = 'aj'   

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 dopamine transporter (Homo sapiens (Human))	BDBM50334458 (CHEMBL1643901 | N-(3-Fluorobenzyl)-N-methyl-8-amin...) Show SMILES CN(Cc1cccc(F)c1)[C@@H]1C2C3CC4C5CC(C2C35)C14 |r,THB:11:18:16:14.20,10:20:18.19:16,12:19:16:14.20,13:14:18.19:16| Show InChI InChI=1S/C19H22FN/c1-21(8-9-3-2-4-10(20)5-9)19-16-12-7-13-15-11(12)6-14(16)17(15)18(13)19/h2-5,11-19H,6-8H2,1H3/t11?,12?,13?,14?,15?,16?,17?,18?,19-/m0/s1	NCI pathway 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
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 form human DAT expressed in HEK cell membranes				Bioorg Med Chem Lett 21: 38-41 (2010) Article DOI: 10.1016/j.bmcl.2010.11.075 BindingDB Entry DOI: 10.7270/Q20K28VR
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50324098 (CHEMBL1214891 | N-(Benzofuran-2-ylmethyl)-N'-(4'-(...) Show SMILES FC(F)CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 Show InChI InChI=1S/C23H26F2N2O2/c24-23(25)9-14-28-20-7-5-18(6-8-20)16-26-10-12-27(13-11-26)17-21-15-19-3-1-2-4-22(19)29-21/h1-8,15,23H,9-14,16-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50324100 (CHEMBL1214830 | N-((Benzofuran-2-yl)methyl)-N'-(4'...) Show SMILES COc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 Show InChI InChI=1S/C21H24N2O2/c1-24-19-8-6-17(7-9-19)15-22-10-12-23(13-11-22)16-20-14-18-4-2-3-5-21(18)25-20/h2-9,14H,10-13,15-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50324099 (CHEMBL1214829 | N-((Benzofuran-2-yl)methyl)-N'-ben...) Show SMILES C(N1CCN(Cc2ccccc2)CC1)c1cc2ccccc2o1 Show InChI InChI=1S/C20H22N2O/c1-2-6-17(7-3-1)15-21-10-12-22(13-11-21)16-19-14-18-8-4-5-9-20(18)23-19/h1-9,14H,10-13,15-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50026948 ((trans) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct...) Show SMILES CN(C)C[C@H]1C2CCC(CC2)[C@H]1c1ccc(Cl)c(Cl)c1 |wD:11.13,4.3,(7.55,1.59,;6.22,.82,;4.89,1.59,;6.22,-.68,;4.89,-1.49,;3.54,-.72,;2.22,-1.49,;2.22,-3.03,;3.54,-3.8,;4.09,-2.55,;2.77,-2.03,;4.89,-3.03,;6.2,-3.8,;6.2,-5.34,;7.55,-6.11,;8.89,-5.34,;10.21,-6.11,;8.87,-3.8,;10.2,-2.99,;7.54,-3.03,)| Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of DAT				Bioorg Med Chem Lett 21: 38-41 (2010) Article DOI: 10.1016/j.bmcl.2010.11.075 BindingDB Entry DOI: 10.7270/Q20K28VR
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50324096 (CHEMBL1215038 | N-(Benzofuran-2-ylmethyl)-N'-(2'-(...) Show SMILES FCCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 Show InChI InChI=1S/C23H27FN2O2/c24-10-5-15-27-22-8-3-2-7-20(22)17-25-11-13-26(14-12-25)18-21-16-19-6-1-4-9-23(19)28-21/h1-4,6-9,16H,5,10-15,17-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50324092 (CHEMBL1214961 | N-((Benzofuran-2-yl)methyl)-N'-(2'...) Show SMILES COc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 Show InChI InChI=1S/C21H24N2O2/c1-24-20-8-4-3-7-18(20)15-22-10-12-23(13-11-22)16-19-14-17-6-2-5-9-21(17)25-19/h2-9,14H,10-13,15-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Binding affinity to 5HT2B				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50324097 (CHEMBL1214831 | N-(Benzofuran-2-ylmethyl)-N'-(4'-e...) Show SMILES CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 Show InChI InChI=1S/C22H26N2O2/c1-2-25-20-9-7-18(8-10-20)16-23-11-13-24(14-12-23)17-21-15-19-5-3-4-6-22(19)26-21/h3-10,15H,2,11-14,16-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50175145 (8-(2-aminoethyl)-N-(bis(4-fluorophenyl)methyl)-8-a...) Show SMILES NCCN1C2CCC1CC(C2)NC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:2:3:5.6:8.10.9,THB:11:9:5.6:3| Show InChI InChI=1S/C22H27F2N3/c23-17-5-1-15(2-6-17)22(16-3-7-18(24)8-4-16)26-19-13-20-9-10-21(14-19)27(20)12-11-25/h1-8,19-22,26H,9-14,25H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of DAT				Bioorg Med Chem Lett 21: 38-41 (2010) Article DOI: 10.1016/j.bmcl.2010.11.075 BindingDB Entry DOI: 10.7270/Q20K28VR
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334461 (2-butyl-3-(4-chlorophenyl)-1-azabicyclo[2.2.2]oct-...) Show SMILES CCCCC1=C(C2CCN1CC2)c1ccc(Cl)cc1 |t:4,(.06,-16.55,;-1.41,-17.03,;-2.55,-16,;-4.01,-16.47,;-5.2,-15.49,;-5.2,-13.3,;-7.34,-12.86,;-6.01,-13.62,;-6.01,-15.16,;-7.35,-15.93,;-8.69,-15.16,;-8.66,-13.62,;-3.99,-12.34,;-2.55,-12.89,;-1.36,-11.93,;-1.59,-10.41,;-.39,-9.44,;-3.03,-9.85,;-4.23,-10.82,)| Show InChI InChI=1S/C17H22ClN/c1-2-3-4-16-17(13-5-7-15(18)8-6-13)14-9-11-19(16)12-10-14/h5-8,14H,2-4,9-12H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of DAT				Bioorg Med Chem Lett 21: 38-41 (2010) Article DOI: 10.1016/j.bmcl.2010.11.075 BindingDB Entry DOI: 10.7270/Q20K28VR
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50324086 (CHEMBL1214893 | N-(Benzofuran-2-ylmethyl)-N'-(4'-(...) Show SMILES FCCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 Show InChI InChI=1S/C23H27FN2O2/c24-10-3-15-27-21-8-6-19(7-9-21)17-25-11-13-26(14-12-25)18-22-16-20-4-1-2-5-23(20)28-22/h1-2,4-9,16H,3,10-15,17-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50324100 (CHEMBL1214830 | N-((Benzofuran-2-yl)methyl)-N'-(4'...) Show SMILES COc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 Show InChI InChI=1S/C21H24N2O2/c1-24-19-8-6-17(7-9-19)15-22-10-12-23(13-11-22)16-20-14-18-4-2-3-5-21(18)25-20/h2-9,14H,10-13,15-16H2,1H3	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
University of Sydney Curated by ChEMBL					Assay Description Binding affinity to 5HT2B				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50324087 (CHEMBL1214894 | N-((Benzofuran-2-yl)methyl)-N'-(3'...) Show SMILES COc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 Show InChI InChI=1S/C21H24N2O2/c1-24-19-7-4-5-17(13-19)15-22-9-11-23(12-10-22)16-20-14-18-6-2-3-8-21(18)25-20/h2-8,13-14H,9-12,15-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334459 ((1S,2S,3S,5R)-methyl 8-(3-iodoallyl)-3-p-tolyl-8-a...) Show SMILES COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C\C=C\I |r,TLB:19:18:10.9.4:7.6| Show InChI InChI=1S/C19H24INO2/c1-13-4-6-14(7-5-13)16-12-15-8-9-17(18(16)19(22)23-2)21(15)11-3-10-20/h3-7,10,15-18H,8-9,11-12H2,1-2H3/b10-3+/t15-,16-,17+,18+/m1/s1	NCI pathway 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
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of DAT				Bioorg Med Chem Lett 21: 38-41 (2010) Article DOI: 10.1016/j.bmcl.2010.11.075 BindingDB Entry DOI: 10.7270/Q20K28VR
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50334455 (CHEMBL1643900 | N-(2-(3'-Fluorophenyl)ethyl)-8-ami...) Show SMILES Fc1cccc(CCN[C@@H]2C3C4CC5C6CC(C3C46)C25)c1 |r,THB:10:17:15:13.19,9:19:17.18:15,11:18:15:13.19,12:13:17.18:15| Show InChI InChI=1S/C19H22FN/c20-10-3-1-2-9(6-10)4-5-21-19-16-12-8-13-15-11(12)7-14(16)17(15)18(13)19/h1-3,6,11-19,21H,4-5,7-8H2/t11?,12?,13?,14?,15?,16?,17?,18?,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat PC12 cells				Bioorg Med Chem Lett 21: 38-41 (2010) Article DOI: 10.1016/j.bmcl.2010.11.075 BindingDB Entry DOI: 10.7270/Q20K28VR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50324087 (CHEMBL1214894 | N-((Benzofuran-2-yl)methyl)-N'-(3'...) Show SMILES COc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 Show InChI InChI=1S/C21H24N2O2/c1-24-19-7-4-5-17(13-19)15-22-9-11-23(12-10-22)16-20-14-18-6-2-3-8-21(18)25-20/h2-8,13-14H,9-12,15-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Binding affinity to 5HT2B				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50324093 (CHEMBL1214962 | N-((Benzofuran-2-yl)methyl)-N'-(2'...) Show SMILES CCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 Show InChI InChI=1S/C22H26N2O2/c1-2-25-21-9-5-4-8-19(21)16-23-11-13-24(14-12-23)17-20-15-18-7-3-6-10-22(18)26-20/h3-10,15H,2,11-14,16-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50026948 ((trans) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct...) Show SMILES CN(C)C[C@H]1C2CCC(CC2)[C@H]1c1ccc(Cl)c(Cl)c1 |wD:11.13,4.3,(7.55,1.59,;6.22,.82,;4.89,1.59,;6.22,-.68,;4.89,-1.49,;3.54,-.72,;2.22,-1.49,;2.22,-3.03,;3.54,-3.8,;4.09,-2.55,;2.77,-2.03,;4.89,-3.03,;6.2,-3.8,;6.2,-5.34,;7.55,-6.11,;8.89,-5.34,;10.21,-6.11,;8.87,-3.8,;10.2,-2.99,;7.54,-3.03,)| Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of NET				Bioorg Med Chem Lett 21: 38-41 (2010) Article DOI: 10.1016/j.bmcl.2010.11.075 BindingDB Entry DOI: 10.7270/Q20K28VR
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50324089 (CHEMBL1214958 | N-(Benzofuran-2-ylmethyl)-N'-(3'-(...) Show SMILES FCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 Show InChI InChI=1S/C22H25FN2O2/c23-8-13-26-20-6-3-4-18(14-20)16-24-9-11-25(12-10-24)17-21-15-19-5-1-2-7-22(19)27-21/h1-7,14-15H,8-13,16-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50324085 (CHEMBL1214892 | N-(Benzofuran-2-ylmethyl)-N'-(4'-p...) Show SMILES CCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 Show InChI InChI=1S/C23H28N2O2/c1-2-15-26-21-9-7-19(8-10-21)17-24-11-13-25(14-12-24)18-22-16-20-5-3-4-6-23(20)27-22/h3-10,16H,2,11-15,17-18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50324094 (CHEMBL1215036 | N-((Benzofuran-2-yl)methyl)-N'-(2'...) Show SMILES FCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 Show InChI InChI=1S/C22H25FN2O2/c23-9-14-26-21-7-3-2-6-19(21)16-24-10-12-25(13-11-24)17-20-15-18-5-1-4-8-22(18)27-20/h1-8,15H,9-14,16-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Binding affinity to 5HT2B				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026948 ((trans) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct...) Show SMILES CN(C)C[C@H]1C2CCC(CC2)[C@H]1c1ccc(Cl)c(Cl)c1 |wD:11.13,4.3,(7.55,1.59,;6.22,.82,;4.89,1.59,;6.22,-.68,;4.89,-1.49,;3.54,-.72,;2.22,-1.49,;2.22,-3.03,;3.54,-3.8,;4.09,-2.55,;2.77,-2.03,;4.89,-3.03,;6.2,-3.8,;6.2,-5.34,;7.55,-6.11,;8.89,-5.34,;10.21,-6.11,;8.87,-3.8,;10.2,-2.99,;7.54,-3.03,)| Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 21: 38-41 (2010) Article DOI: 10.1016/j.bmcl.2010.11.075 BindingDB Entry DOI: 10.7270/Q20K28VR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50324093 (CHEMBL1214962 | N-((Benzofuran-2-yl)methyl)-N'-(2'...) Show SMILES CCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 Show InChI InChI=1S/C22H26N2O2/c1-2-25-21-9-5-4-8-19(21)16-23-11-13-24(14-12-23)17-20-15-18-7-3-6-10-22(18)26-20/h3-10,15H,2,11-14,16-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Binding affinity to 5HT2B				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50324095 (CHEMBL1215037 | N-(Benzofuran-2-ylmethyl)-N'-(2'-p...) Show SMILES CCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 Show InChI InChI=1S/C23H28N2O2/c1-2-15-26-22-9-5-4-8-20(22)17-24-11-13-25(14-12-24)18-21-16-19-7-3-6-10-23(19)27-21/h3-10,16H,2,11-15,17-18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50324088 (CHEMBL1214895 | N-(Benzofuran-2-ylmethyl)-N'-(3'-e...) Show SMILES CCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 Show InChI InChI=1S/C22H26N2O2/c1-2-25-20-8-5-6-18(14-20)16-23-10-12-24(13-11-23)17-21-15-19-7-3-4-9-22(19)26-21/h3-9,14-15H,2,10-13,16-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50324098 (CHEMBL1214891 | N-(Benzofuran-2-ylmethyl)-N'-(4'-(...) Show SMILES FC(F)CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 Show InChI InChI=1S/C23H26F2N2O2/c24-23(25)9-14-28-20-7-5-18(6-8-20)16-26-10-12-27(13-11-26)17-21-15-19-3-1-2-4-22(19)29-21/h1-8,15,23H,9-14,16-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Binding affinity to 5HT2B				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334456 (CHEMBL1643902 | N-(2-(3'-Fluorophenyl)ethyl)-N-met...) Show SMILES CN(CCc1cccc(F)c1)[C@@H]1C2C3CC4C5CC(C2C35)C14 |r,THB:12:19:17:15.21,11:21:19.20:17,13:20:17:15.21,14:15:19.20:17| Show InChI InChI=1S/C20H24FN/c1-22(6-5-10-3-2-4-11(21)7-10)20-17-13-9-14-16-12(13)8-15(17)18(16)19(14)20/h2-4,7,12-20H,5-6,8-9H2,1H3/t12?,13?,14?,15?,16?,17?,18?,19?,20-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 form human DAT expressed in HEK cell membranes				Bioorg Med Chem Lett 21: 38-41 (2010) Article DOI: 10.1016/j.bmcl.2010.11.075 BindingDB Entry DOI: 10.7270/Q20K28VR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50324095 (CHEMBL1215037 | N-(Benzofuran-2-ylmethyl)-N'-(2'-p...) Show SMILES CCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 Show InChI InChI=1S/C23H28N2O2/c1-2-15-26-22-9-5-4-8-20(22)17-24-11-13-25(14-12-24)18-21-16-19-7-3-6-10-23(19)27-21/h3-10,16H,2,11-15,17-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	116	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Binding affinity to 5HT2B				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50324090 (CHEMBL1214959 | N-(Benzofuran-2-ylmethyl)-N'-(3'-p...) Show SMILES CCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 Show InChI InChI=1S/C23H28N2O2/c1-2-14-26-21-8-5-6-19(15-21)17-24-10-12-25(13-11-24)18-22-16-20-7-3-4-9-23(20)27-22/h3-9,15-16H,2,10-14,17-18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	177	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50324096 (CHEMBL1215038 | N-(Benzofuran-2-ylmethyl)-N'-(2'-(...) Show SMILES FCCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 Show InChI InChI=1S/C23H27FN2O2/c24-10-5-15-27-22-8-3-2-7-20(22)17-25-11-13-26(14-12-25)18-21-16-19-6-1-4-9-23(19)28-21/h1-4,6-9,16H,5,10-15,17-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	184	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Binding affinity to 5HT2B				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50324091 (CHEMBL1214960 | N-(Benzofuran-2-ylmethyl)-N'-(3'-(...) Show SMILES FCCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 Show InChI InChI=1S/C23H27FN2O2/c24-9-4-14-27-21-7-3-5-19(15-21)17-25-10-12-26(13-11-25)18-22-16-20-6-1-2-8-23(20)28-22/h1-3,5-8,15-16H,4,9-14,17-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Binding affinity to 5HT2B				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50334457 (CHEMBL1643899 | N-(3-Fluorobenzyl)-8-aminopentacyc...) Show SMILES Fc1cccc(CN[C@@H]2C3C4CC5C6CC(C3C46)C25)c1 |r,THB:9:16:14:12.18,8:18:16.17:14,10:17:14:12.18,11:12:16.17:14| Show InChI InChI=1S/C18H20FN/c19-9-3-1-2-8(4-9)7-20-18-15-11-6-12-14-10(11)5-13(15)16(14)17(12)18/h1-4,10-18,20H,5-7H2/t10?,11?,12?,13?,14?,15?,16?,17?,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	198	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat PC12 cells				Bioorg Med Chem Lett 21: 38-41 (2010) Article DOI: 10.1016/j.bmcl.2010.11.075 BindingDB Entry DOI: 10.7270/Q20K28VR
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50324092 (CHEMBL1214961 | N-((Benzofuran-2-yl)methyl)-N'-(2'...) Show SMILES COc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 Show InChI InChI=1S/C21H24N2O2/c1-24-20-8-4-3-7-18(20)15-22-10-12-23(13-11-22)16-19-14-17-6-2-5-9-21(17)25-19/h2-9,14H,10-13,15-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	198	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50324091 (CHEMBL1214960 | N-(Benzofuran-2-ylmethyl)-N'-(3'-(...) Show SMILES FCCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 Show InChI InChI=1S/C23H27FN2O2/c24-9-4-14-27-21-7-3-5-19(15-21)17-25-10-12-26(13-11-25)18-22-16-20-6-1-2-8-23(20)28-22/h1-3,5-8,15-16H,4,9-14,17-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	232	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50324086 (CHEMBL1214893 | N-(Benzofuran-2-ylmethyl)-N'-(4'-(...) Show SMILES FCCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 Show InChI InChI=1S/C23H27FN2O2/c24-10-3-15-27-21-8-6-19(7-9-21)17-25-11-13-26(14-12-25)18-22-16-20-4-1-2-5-23(20)28-22/h1-2,4-9,16H,3,10-15,17-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	232	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Binding affinity to 5HT2B				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50324089 (CHEMBL1214958 | N-(Benzofuran-2-ylmethyl)-N'-(3'-(...) Show SMILES FCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 Show InChI InChI=1S/C22H25FN2O2/c23-8-13-26-20-6-3-4-18(14-20)16-24-9-11-25(12-10-24)17-21-15-19-5-1-2-7-22(19)27-21/h1-7,14-15H,8-13,16-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	244	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Binding affinity to 5HT2B				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50324090 (CHEMBL1214959 | N-(Benzofuran-2-ylmethyl)-N'-(3'-p...) Show SMILES CCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 Show InChI InChI=1S/C23H28N2O2/c1-2-14-26-21-8-5-6-19(15-21)17-24-10-12-25(13-11-24)18-22-16-20-7-3-4-9-23(20)27-22/h3-9,15-16H,2,10-14,17-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	259	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Binding affinity to 5HT2B				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50324097 (CHEMBL1214831 | N-(Benzofuran-2-ylmethyl)-N'-(4'-e...) Show SMILES CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 Show InChI InChI=1S/C22H26N2O2/c1-2-25-20-9-7-18(8-10-20)16-23-11-13-24(14-12-23)17-21-15-19-5-3-4-6-22(19)26-21/h3-10,15H,2,11-14,16-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	262	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Binding affinity to 5HT2B				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50324088 (CHEMBL1214895 | N-(Benzofuran-2-ylmethyl)-N'-(3'-e...) Show SMILES CCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 Show InChI InChI=1S/C22H26N2O2/c1-2-25-20-8-5-6-18(14-20)16-23-10-12-24(13-11-23)17-21-15-19-7-3-4-9-22(19)26-21/h3-9,14-15H,2,10-13,16-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	302	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Binding affinity to 5HT2B				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50324087 (CHEMBL1214894 | N-((Benzofuran-2-yl)methyl)-N'-(3'...) Show SMILES COc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 Show InChI InChI=1S/C21H24N2O2/c1-24-19-7-4-5-17(13-19)15-22-9-11-23(12-10-22)16-20-14-18-6-2-3-8-21(18)25-20/h2-8,13-14H,9-12,15-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	373	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Binding affinity to 5HT1A				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50324093 (CHEMBL1214962 | N-((Benzofuran-2-yl)methyl)-N'-(2'...) Show SMILES CCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 Show InChI InChI=1S/C22H26N2O2/c1-2-25-21-9-5-4-8-19(21)16-23-11-13-24(14-12-23)17-20-15-18-7-3-6-10-22(18)26-20/h3-10,15H,2,11-14,16-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	468	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Binding affinity to 5HT1A				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50324089 (CHEMBL1214958 | N-(Benzofuran-2-ylmethyl)-N'-(3'-(...) Show SMILES FCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 Show InChI InChI=1S/C22H25FN2O2/c23-8-13-26-20-6-3-4-18(14-20)16-24-9-11-25(12-10-24)17-21-15-19-5-1-2-7-22(19)27-21/h1-7,14-15H,8-13,16-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	469	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Binding affinity to 5HT1A				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50324094 (CHEMBL1215036 | N-((Benzofuran-2-yl)methyl)-N'-(2'...) Show SMILES FCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 Show InChI InChI=1S/C22H25FN2O2/c23-9-14-26-21-7-3-2-6-19(21)16-24-10-12-25(13-11-24)17-20-15-18-5-1-4-8-22(18)27-20/h1-8,15H,9-14,16-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	488	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50324099 (CHEMBL1214829 | N-((Benzofuran-2-yl)methyl)-N'-ben...) Show SMILES C(N1CCN(Cc2ccccc2)CC1)c1cc2ccccc2o1 Show InChI InChI=1S/C20H22N2O/c1-2-6-17(7-3-1)15-21-10-12-22(13-11-21)16-19-14-18-8-4-5-9-20(18)23-19/h1-9,14H,10-13,15-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	497	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Binding affinity to 5HT2B				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50334459 ((1S,2S,3S,5R)-methyl 8-(3-iodoallyl)-3-p-tolyl-8-a...) Show SMILES COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C\C=C\I |r,TLB:19:18:10.9.4:7.6| Show InChI InChI=1S/C19H24INO2/c1-13-4-6-14(7-5-13)16-12-15-8-9-17(18(16)19(22)23-2)21(15)11-3-10-20/h3-7,10,15-18H,8-9,11-12H2,1-2H3/b10-3+/t15-,16-,17+,18+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 21: 38-41 (2010) Article DOI: 10.1016/j.bmcl.2010.11.075 BindingDB Entry DOI: 10.7270/Q20K28VR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50324091 (CHEMBL1214960 | N-(Benzofuran-2-ylmethyl)-N'-(3'-(...) Show SMILES FCCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 Show InChI InChI=1S/C23H27FN2O2/c24-9-4-14-27-21-7-3-5-19(15-21)17-25-10-12-26(13-11-25)18-22-16-20-6-1-2-8-23(20)28-22/h1-3,5-8,15-16H,4,9-14,17-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	599	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Binding affinity to 5HT1A				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50324085 (CHEMBL1214892 | N-(Benzofuran-2-ylmethyl)-N'-(4'-p...) Show SMILES CCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 Show InChI InChI=1S/C23H28N2O2/c1-2-15-26-21-9-7-19(8-10-21)17-24-11-13-25(14-12-24)18-22-16-20-5-3-4-6-23(20)27-22/h3-10,16H,2,11-15,17-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	655	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Binding affinity to 5HT2B				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50334455 (CHEMBL1643900 | N-(2-(3'-Fluorophenyl)ethyl)-8-ami...) Show SMILES Fc1cccc(CCN[C@@H]2C3C4CC5C6CC(C3C46)C25)c1 |r,THB:10:17:15:13.19,9:19:17.18:15,11:18:15:13.19,12:13:17.18:15| Show InChI InChI=1S/C19H22FN/c20-10-3-1-2-9(6-10)4-5-21-19-16-12-8-13-15-11(12)7-14(16)17(15)18(13)19/h1-3,6,11-19,21H,4-5,7-8H2/t11?,12?,13?,14?,15?,16?,17?,18?,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	705	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of muscarinic M4 receptor				Bioorg Med Chem Lett 21: 38-41 (2010) Article DOI: 10.1016/j.bmcl.2010.11.075 BindingDB Entry DOI: 10.7270/Q20K28VR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50324090 (CHEMBL1214959 | N-(Benzofuran-2-ylmethyl)-N'-(3'-p...) Show SMILES CCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 Show InChI InChI=1S/C23H28N2O2/c1-2-14-26-21-8-5-6-19(15-21)17-24-10-12-25(13-11-24)18-22-16-20-7-3-4-9-23(20)27-22/h3-9,15-16H,2,10-14,17-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	774	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Binding affinity to 5HT1A				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50324092 (CHEMBL1214961 | N-((Benzofuran-2-yl)methyl)-N'-(2'...) Show SMILES COc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 Show InChI InChI=1S/C21H24N2O2/c1-24-20-8-4-3-7-18(20)15-22-10-12-23(13-11-22)16-19-14-17-6-2-5-9-21(17)25-19/h2-9,14H,10-13,15-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	806	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Binding affinity to 5HT1A				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair

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