Compile Data Set for Download or QSAR

Found 604 hits with Last Name = 'fischer' 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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50361993 (CHEMBL1939700) Show SMILES FCC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc12 Show InChI InChI=1S/C20H21F2NO/c21-13-19-17-3-1-2-4-18(17)20(24-19)9-11-23(12-10-20)14-15-5-7-16(22)8-6-15/h1-8,19H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 180 mins by solid scintillation counting				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50259004 (1'-[4-Fluorobenzyl]-3H-spiro[[2]benzofuran-1,4'pip...) Show SMILES Fc1ccc(CN2CCC3(CC2)OCc2ccccc32)cc1 Show InChI InChI=1S/C19H20FNO/c20-17-7-5-15(6-8-17)13-21-11-9-19(10-12-21)18-4-2-1-3-16(18)14-22-19/h1-8H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by solid scintillation analysis				Bioorg Med Chem 17: 3630-41 (2009) Article DOI: 10.1016/j.bmc.2009.03.060 BindingDB Entry DOI: 10.7270/Q2BZ65XT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50393252 (CHEMBL2151570) Show SMILES C1CN2CCC1[C@H](C2)Oc1ccc(nn1)-c1ccc2[nH]ccc2c1 |r,wU:6.9,(10.31,-30.96,;10.31,-32.5,;11.64,-33.26,;10.9,-31.9,;12.4,-31.51,;11.64,-30.18,;12.97,-30.96,;12.97,-32.5,;14.31,-30.2,;15.64,-30.97,;16.97,-30.21,;18.3,-30.98,;18.3,-32.52,;16.96,-33.29,;15.63,-32.51,;19.62,-33.3,;19.61,-34.84,;20.94,-35.61,;22.28,-34.84,;23.75,-35.31,;24.65,-34.07,;23.75,-32.82,;22.28,-33.3,;20.95,-32.53,)| Show InChI InChI=1S/C19H20N4O/c1-2-16-15(5-8-20-16)11-14(1)17-3-4-19(22-21-17)24-18-12-23-9-6-13(18)7-10-23/h1-5,8,11,13,18,20H,6-7,9-10,12H2/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mahidol University Curated by ChEMBL					Assay Description Displacement of [3H]A-585539 from alpha7 nAChR in human cerebral cortex membranes after 75 mins by scintillation counting				ACS Med Chem Lett 7: 890-895 (2016) Article DOI: 10.1021/acsmedchemlett.6b00146 BindingDB Entry DOI: 10.7270/Q2ZW1QDQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50218673 (2-(2-((dimethylamino)methyl)-4-fluorophenylthio)-5...) Show SMILES CN(C)Cc1cc(F)ccc1Sc1ccc(C)cc1N Show InChI InChI=1S/C16H19FN2S/c1-11-4-6-16(14(18)8-11)20-15-7-5-13(17)9-12(15)10-19(2)3/h4-9H,10,18H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Interdisziplinäre Isotopenforschung Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from SERT in rat brain				Bioorg Med Chem Lett 17: 4991-5 (2007) Article DOI: 10.1016/j.bmcl.2007.02.082 BindingDB Entry DOI: 10.7270/Q2B27TZJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50218674 (3-amino-4-(2-((dimethylamino)methyl)-4-fluoropheny...) Show SMILES CN(C)Cc1cc(F)ccc1Sc1ccc(cc1N)C#N Show InChI InChI=1S/C16H16FN3S/c1-20(2)10-12-8-13(17)4-6-15(12)21-16-5-3-11(9-18)7-14(16)19/h3-8H,10,19H2,1-2H3	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
Institut für Interdisziplinäre Isotopenforschung Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat brain				Bioorg Med Chem Lett 17: 4991-5 (2007) Article DOI: 10.1016/j.bmcl.2007.02.082 BindingDB Entry DOI: 10.7270/Q2B27TZJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50218670 (5-chloro-2-(2-((dimethylamino)methyl)-4-fluorophen...) Show SMILES CN(C)Cc1cc(F)ccc1Sc1ccc(Cl)cc1N Show InChI InChI=1S/C15H16ClFN2S/c1-19(2)9-10-7-12(17)4-6-14(10)20-15-5-3-11(16)8-13(15)18/h3-8H,9,18H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Interdisziplinäre Isotopenforschung Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from SERT in rat brain				Bioorg Med Chem Lett 17: 4991-5 (2007) Article DOI: 10.1016/j.bmcl.2007.02.082 BindingDB Entry DOI: 10.7270/Q2B27TZJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Interdisziplinäre Isotopenforschung Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 18: 4727-30 (2008) Article DOI: 10.1016/j.bmcl.2008.06.077 BindingDB Entry DOI: 10.7270/Q2M61K2K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Interdisziplinäre Isotopenforschung Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 18: 4727-30 (2008) Article DOI: 10.1016/j.bmcl.2008.06.077 BindingDB Entry DOI: 10.7270/Q2M61K2K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM86522 (CAS_325715-02-4 | Indiplon) Show SMILES CN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C(=O)c1cccs1 Show InChI InChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ABX advanced biochemical compounds GmbH Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from GABAA alpha1 receptor in Sprague-Dawley rat cerebral cortex membrane				Bioorg Med Chem 16: 1184-94 (2008) Article DOI: 10.1016/j.bmc.2007.10.079 BindingDB Entry DOI: 10.7270/Q2QR4XZZ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM86522 (CAS_325715-02-4 | Indiplon) Show SMILES CN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C(=O)c1cccs1 Show InChI InChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ABX advanced biochemical compounds GmbH Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from GABAA alpha-1 receptor in Sprague-Dawley rat cerebellar membrane				Bioorg Med Chem 16: 1184-94 (2008) Article DOI: 10.1016/j.bmc.2007.10.079 BindingDB Entry DOI: 10.7270/Q2QR4XZZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50299285 (1'-Cyclohexylmethyl-3-(3-fluoropropyl)-3H-spiro[[2...) Show SMILES FCCCC1OC2(CCN(CC3CCCCC3)CC2)c2ccccc12 Show InChI InChI=1S/C22H32FNO/c23-14-6-11-21-19-9-4-5-10-20(19)22(25-21)12-15-24(16-13-22)17-18-7-2-1-3-8-18/h4-5,9-10,18,21H,1-3,6-8,11-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane after 180 mins by scintillation counting				J Med Chem 52: 6062-72 (2009) Article DOI: 10.1021/jm900909e BindingDB Entry DOI: 10.7270/Q2KH0ND9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50334158 (1'-benzyl-3-(2-fluoroethyl)-3H-spiro[[2]benzofuran...) Show SMILES FCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C21H24FNO/c22-13-10-20-18-8-4-5-9-19(18)21(24-20)11-14-23(15-12-21)16-17-6-2-1-3-7-17/h1-9,20H,10-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 180 mins by solid scintillation counting				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50110788 (2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Interdisziplinäre Isotopenforschung Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from SERT in rat brain				Bioorg Med Chem Lett 17: 4991-5 (2007) Article DOI: 10.1016/j.bmcl.2007.02.082 BindingDB Entry DOI: 10.7270/Q2B27TZJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50110788 (2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Interdisziplinäre Isotopenforschung Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 18: 4727-30 (2008) Article DOI: 10.1016/j.bmcl.2008.06.077 BindingDB Entry DOI: 10.7270/Q2M61K2K
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50361998 (CHEMBL1939698) Show SMILES FCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C20H22FNO/c21-14-19-17-8-4-5-9-18(17)20(23-19)10-12-22(13-11-20)15-16-6-2-1-3-7-16/h1-9,19H,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 180 mins by solid scintillation counting				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50259001 (1'-(4-Fluorobenzyl)-3-methoxy-3H-spiro[[2]benzofur...) Show SMILES COC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc12 Show InChI InChI=1S/C20H22FNO2/c1-23-19-17-4-2-3-5-18(17)20(24-19)10-12-22(13-11-20)14-15-6-8-16(21)9-7-15/h2-9,19H,10-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by solid scintillation analysis				Bioorg Med Chem 17: 3630-41 (2009) Article DOI: 10.1016/j.bmc.2009.03.060 BindingDB Entry DOI: 10.7270/Q2BZ65XT
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50258915 (1'-(4-Fluorobenzyl)-3H-spiro[[2]benzofuran-1,4'-pi...) Show SMILES Fc1ccc(CN2CCC3(CC2)OC(C#N)c2ccccc32)cc1 Show InChI InChI=1S/C20H19FN2O/c21-16-7-5-15(6-8-16)14-23-11-9-20(10-12-23)18-4-2-1-3-17(18)19(13-22)24-20/h1-8,19H,9-12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by solid scintillation analysis				Bioorg Med Chem 17: 3630-41 (2009) Article DOI: 10.1016/j.bmc.2009.03.060 BindingDB Entry DOI: 10.7270/Q2BZ65XT
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50361992 (CHEMBL1939699) Show SMILES FCCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C23H28FNO/c24-15-7-6-12-22-20-10-4-5-11-21(20)23(26-22)13-16-25(17-14-23)18-19-8-2-1-3-9-19/h1-5,8-11,22H,6-7,12-18H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to VAChT				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50299280 (1'-benzyl-3-(3-fluoropropyl)-3H-spiro[[2]benzofura...) Show SMILES FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C22H26FNO/c23-14-6-11-21-19-9-4-5-10-20(19)22(25-21)12-15-24(16-13-22)17-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to VAChT				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM92878 (Quinuclidine analogue, 5) Show SMILES O=C(N[C@@H]1C2CCN(CC2)C1Cc1cccnc1)c1cc2ccccc2o1 |r,wU:3.2,(7.05,2.04,;7.05,3.58,;5.72,4.35,;4.39,3.58,;3.05,4.35,;1.72,3.58,;1.72,2.04,;3.05,1.27,;2.83,2.56,;3.77,3.23,;4.39,2.04,;5.72,1.27,;5.72,-.27,;4.39,-1.04,;4.39,-2.58,;5.72,-3.35,;7.05,-2.58,;7.05,-1.04,;8.39,4.35,;9.53,3.31,;10.87,4.08,;12.33,3.61,;13.47,4.64,;13.15,6.15,;11.69,6.62,;10.55,5.59,;9.01,5.75,)| Show InChI InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18?,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mahidol University Curated by ChEMBL					Assay Description Displacement of [3H]MLA from alpha7 nAChR in rat hippocampal membranes				ACS Med Chem Lett 7: 890-895 (2016) Article DOI: 10.1021/acsmedchemlett.6b00146 BindingDB Entry DOI: 10.7270/Q2ZW1QDQ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50108659 (1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...) Show SMILES COC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C20H23NO2/c1-22-19-17-9-5-6-10-18(17)20(23-19)11-13-21(14-12-20)15-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane after 180 mins by scintillation counting				J Med Chem 52: 6062-72 (2009) Article DOI: 10.1021/jm900909e BindingDB Entry DOI: 10.7270/Q2KH0ND9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50108659 (1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...) Show SMILES COC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C20H23NO2/c1-22-19-17-9-5-6-10-18(17)20(23-19)11-13-21(14-12-20)15-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by solid scintillation analysis				Bioorg Med Chem 17: 3630-41 (2009) Article DOI: 10.1016/j.bmc.2009.03.060 BindingDB Entry DOI: 10.7270/Q2BZ65XT
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50361994 (CHEMBL1939701) Show SMILES CC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc12 Show InChI InChI=1S/C20H22FNO/c1-15-18-4-2-3-5-19(18)20(23-15)10-12-22(13-11-20)14-16-6-8-17(21)9-7-16/h2-9,15H,10-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 180 mins by solid scintillation counting				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50361992 (CHEMBL1939699) Show SMILES FCCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C23H28FNO/c24-15-7-6-12-22-20-10-4-5-11-21(20)23(26-22)13-16-25(17-14-23)18-19-8-2-1-3-9-19/h1-5,8-11,22H,6-7,12-18H2	PDB 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
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 180 mins by solid scintillation counting				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50299280 (1'-benzyl-3-(3-fluoropropyl)-3H-spiro[[2]benzofura...) Show SMILES FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C22H26FNO/c23-14-6-11-21-19-9-4-5-10-20(19)22(25-21)12-15-24(16-13-22)17-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 180 mins by solid scintillation counting				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50334158 (1'-benzyl-3-(2-fluoroethyl)-3H-spiro[[2]benzofuran...) Show SMILES FCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C21H24FNO/c22-13-10-20-18-8-4-5-9-19(18)21(24-20)11-14-23(15-12-21)16-17-6-2-1-3-7-17/h1-9,20H,10-16H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to VAChT				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50299280 (1'-benzyl-3-(3-fluoropropyl)-3H-spiro[[2]benzofura...) Show SMILES FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C22H26FNO/c23-14-6-11-21-19-9-4-5-10-20(19)22(25-21)12-15-24(16-13-22)17-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane after 180 mins by scintillation counting				J Med Chem 52: 6062-72 (2009) Article DOI: 10.1021/jm900909e BindingDB Entry DOI: 10.7270/Q2KH0ND9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50258916 (3-Allyl-1'-(4-fluorobenzyl)-3H-spiro[[2]benzofuran...) Show SMILES Fc1ccc(CN2CCC3(CC2)OC(CC=C)c2ccccc32)cc1 Show InChI InChI=1S/C22H24FNO/c1-2-5-21-19-6-3-4-7-20(19)22(25-21)12-14-24(15-13-22)16-17-8-10-18(23)11-9-17/h2-4,6-11,21H,1,5,12-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by solid scintillation analysis				Bioorg Med Chem 17: 3630-41 (2009) Article DOI: 10.1016/j.bmc.2009.03.060 BindingDB Entry DOI: 10.7270/Q2BZ65XT
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Homo sapiens (Human))	BDBM50338990 (1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piper...) Show SMILES COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC Show InChI InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to EBP				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50299284 (3-Allyl-1'-benzyl-3H-spiro[[2]benzofuran-1,4'-pipe...) Show SMILES C=CCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C22H25NO/c1-2-8-21-19-11-6-7-12-20(19)22(24-21)13-15-23(16-14-22)17-18-9-4-3-5-10-18/h2-7,9-12,21H,1,8,13-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane after 180 mins by scintillation counting				J Med Chem 52: 6062-72 (2009) Article DOI: 10.1021/jm900909e BindingDB Entry DOI: 10.7270/Q2KH0ND9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50299291 (1'-(4-Fluorobenzyl)-3-(3-fluoropropyl)-3H-spiro[[2...) Show SMILES FCCCC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc12 Show InChI InChI=1S/C22H25F2NO/c23-13-3-6-21-19-4-1-2-5-20(19)22(26-21)11-14-25(15-12-22)16-17-7-9-18(24)10-8-17/h1-2,4-5,7-10,21H,3,6,11-16H2	PDB 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
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane after 180 mins by scintillation counting				J Med Chem 52: 6062-72 (2009) Article DOI: 10.1021/jm900909e BindingDB Entry DOI: 10.7270/Q2KH0ND9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50299288 (3-(3-Fluoropropyl)-1'-(3-methylbut-2-en-1-yl)-3H-s...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]C2([#6]-[#6]-1)[#8]-[#6](-[#6]-[#6]-[#6]F)-c1ccccc21 Show InChI InChI=1S/C20H28FNO/c1-16(2)9-13-22-14-10-20(11-15-22)18-7-4-3-6-17(18)19(23-20)8-5-12-21/h3-4,6-7,9,19H,5,8,10-15H2,1-2H3	PDB 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
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane after 180 mins by scintillation counting				J Med Chem 52: 6062-72 (2009) Article DOI: 10.1021/jm900909e BindingDB Entry DOI: 10.7270/Q2KH0ND9
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50110788 (2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.03	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Interdisziplinäre Isotopenforschung Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 18: 4727-30 (2008) Article DOI: 10.1016/j.bmcl.2008.06.077 BindingDB Entry DOI: 10.7270/Q2M61K2K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50218671 (2-(4-chloro-2-((dimethylamino)methyl)phenoxy)-5-fl...) Show SMILES CN(C)Cc1cc(Cl)ccc1Oc1ccc(F)cc1N Show InChI InChI=1S/C15H16ClFN2O/c1-19(2)9-10-7-11(16)3-5-14(10)20-15-6-4-12(17)8-13(15)18/h3-8H,9,18H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.06	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Interdisziplinäre Isotopenforschung Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat brain				Bioorg Med Chem Lett 17: 4991-5 (2007) Article DOI: 10.1016/j.bmcl.2007.02.082 BindingDB Entry DOI: 10.7270/Q2B27TZJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50534298 (CHEMBL4438684) Show SMILES Fc1cccc(c1)-c1cn(nn1)[C@@H]1CN2CCC1CC2 |r,wD:12.13,THB:9:12:15.16:19.18,(44.38,-22.41,;43.62,-21.07,;44.4,-19.74,;43.62,-18.4,;42.09,-18.4,;41.32,-19.73,;42.08,-21.06,;39.78,-19.72,;38.73,-20.85,;37.33,-20.2,;37.51,-18.67,;39.02,-18.37,;35.98,-20.95,;35.78,-22.34,;34.25,-21.68,;32.88,-22.31,;33.16,-20.92,;34.51,-20.31,;34.44,-18.67,;33.99,-19.78,)| Show InChI InChI=1S/C15H17FN4/c16-13-3-1-2-12(8-13)14-9-20(18-17-14)15-10-19-6-4-11(15)5-7-19/h1-3,8-9,11,15H,4-7,10H2/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mahidol University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK293 cell membranes after 120 mins by liquid scintillation counting				ACS Med Chem Lett 7: 890-895 (2016) Article DOI: 10.1021/acsmedchemlett.6b00146 BindingDB Entry DOI: 10.7270/Q2ZW1QDQ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50433470 (CHEMBL2380928) Show SMILES FCCn1ccc2ccc(cc12)-c1nnc(o1)N1CCN2CCC1CC2 |(20.47,-8.19,;19.69,-9.52,;18.15,-9.5,;17.39,-8.17,;18.31,-6.92,;17.41,-5.67,;15.94,-6.14,;14.6,-5.37,;13.27,-6.14,;13.27,-7.67,;14.6,-8.44,;15.93,-7.68,;11.94,-8.44,;11.46,-9.91,;9.92,-9.91,;9.44,-8.44,;10.69,-7.53,;7.97,-7.96,;7.76,-6.43,;6.44,-5.64,;4.99,-6.19,;4.52,-7.65,;5.37,-8.93,;6.91,-9.07,;5.9,-8.06,;6.43,-7.06,)| Show InChI InChI=1S/C19H22FN5O/c20-6-10-24-9-3-14-1-2-15(13-17(14)24)18-21-22-19(26-18)25-12-11-23-7-4-16(25)5-8-23/h1-3,9,13,16H,4-8,10-12H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz-Zentrum Dresden-Rossendorf Curated by ChEMBL					Assay Description Displacement of [3H]-methyllycaconitine from human alpha7 nAChR transfected in human SH-SY5Y cells after 240 mins by liquid scintillation counting an...				Bioorg Med Chem 21: 2635-42 (2013) Article DOI: 10.1016/j.bmc.2013.02.018 BindingDB Entry DOI: 10.7270/Q28K7BFK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50534286 (CHEMBL4453542) Show SMILES Oc1ccc(cc1)-c1cn(nn1)[C@@H]1CN2CCC1CC2 |r,wD:12.13,THB:9:12:15.16:19.18,(23.93,-41.63,;22.38,-41.63,;21.61,-42.96,;20.07,-42.95,;19.31,-41.61,;20.07,-40.28,;21.61,-40.28,;17.76,-41.61,;16.72,-42.74,;15.32,-42.09,;15.5,-40.56,;17.01,-40.26,;13.97,-42.84,;13.77,-44.23,;12.24,-43.57,;10.87,-44.2,;11.15,-42.81,;12.5,-42.2,;12.43,-40.56,;11.98,-41.67,)| Show InChI InChI=1S/C15H18N4O/c20-13-3-1-11(2-4-13)14-9-19(17-16-14)15-10-18-7-5-12(15)6-8-18/h1-4,9,12,15,20H,5-8,10H2/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mahidol University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK293 cell membranes after 120 mins by liquid scintillation counting				ACS Med Chem Lett 7: 890-895 (2016) Article DOI: 10.1021/acsmedchemlett.6b00146 BindingDB Entry DOI: 10.7270/Q2ZW1QDQ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50534287 (CHEMBL4519018) Show SMILES CN1C2CCCC1CC(C2)Nc1ccccc1Br |TLB:0:1:7.9.8:3.5.4,10:8:1:3.5.4| Show InChI InChI=1S/C15H21BrN2/c1-18-12-5-4-6-13(18)10-11(9-12)17-15-8-3-2-7-14(15)16/h2-3,7-8,11-13,17H,4-6,9-10H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mahidol University Curated by ChEMBL					Assay Description Binding affinity to alpha3beta4 nAChR (unknown origin)				ACS Med Chem Lett 7: 890-895 (2016) Article DOI: 10.1021/acsmedchemlett.6b00146 BindingDB Entry DOI: 10.7270/Q2ZW1QDQ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50361997 (CHEMBL1939704) Show SMILES Cc1ccc(cc1)S(=O)(=O)OCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C27H29NO4S/c1-21-11-13-23(14-12-21)33(29,30)31-20-26-24-9-5-6-10-25(24)27(32-26)15-17-28(18-16-27)19-22-7-3-2-4-8-22/h2-14,26H,15-20H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 180 mins by solid scintillation counting				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50218675 (3-amino-4-(2-((dimethylamino)methyl)-4-fluoropheno...) Show SMILES CN(C)Cc1cc(F)ccc1Oc1ccc(cc1N)C#N Show InChI InChI=1S/C16H16FN3O/c1-20(2)10-12-8-13(17)4-6-15(12)21-16-5-3-11(9-18)7-14(16)19/h3-8H,10,19H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Interdisziplinäre Isotopenforschung Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from SERT in rat brain				Bioorg Med Chem Lett 17: 4991-5 (2007) Article DOI: 10.1016/j.bmcl.2007.02.082 BindingDB Entry DOI: 10.7270/Q2B27TZJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50500410 (CHEMBL3745799) Show SMILES Fc1ccc(cc1)-c1cn(nn1)[C@@H]1CN2CCC1CC2 |r,wU:12.13,(-3.22,5.47,;-2.65,4.39,;-1.11,4.33,;-.39,2.97,;-1.2,1.67,;-2.75,1.72,;-3.47,3.08,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)| Show InChI InChI=1S/C15H17FN4/c16-13-3-1-11(2-4-13)14-9-20(18-17-14)15-10-19-7-5-12(15)6-8-19/h1-4,9,12,15H,5-8,10H2/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mahidol University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK293 cell membranes after 120 mins by liquid scintillation counting				ACS Med Chem Lett 7: 890-895 (2016) Article DOI: 10.1021/acsmedchemlett.6b00146 BindingDB Entry DOI: 10.7270/Q2ZW1QDQ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50299282 (1'-Benzyl-3-propyl-3H-spiro[[2]benzofuran-1,4'-pip...) Show SMILES CCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C22H27NO/c1-2-8-21-19-11-6-7-12-20(19)22(24-21)13-15-23(16-14-22)17-18-9-4-3-5-10-18/h3-7,9-12,21H,2,8,13-17H2,1H3	PDB 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
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane after 180 mins by scintillation counting				J Med Chem 52: 6062-72 (2009) Article DOI: 10.1021/jm900909e BindingDB Entry DOI: 10.7270/Q2KH0ND9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50259002 (1'-(4-Fluorobenzyl)-3H-spiro[[2]benzofuran-1,4'-pi...) Show SMILES OC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc12 Show InChI InChI=1S/C19H20FNO2/c20-15-7-5-14(6-8-15)13-21-11-9-19(10-12-21)17-4-2-1-3-16(17)18(22)23-19/h1-8,18,22H,9-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by solid scintillation analysis				Bioorg Med Chem 17: 3630-41 (2009) Article DOI: 10.1016/j.bmc.2009.03.060 BindingDB Entry DOI: 10.7270/Q2BZ65XT
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50299283 (3-(1'-Benzyl-3H-spiro[[2]benzofuran-1,4'-piperidin...) Show SMILES OCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C22H27NO2/c24-16-6-11-21-19-9-4-5-10-20(19)22(25-21)12-14-23(15-13-22)17-18-7-2-1-3-8-18/h1-5,7-10,21,24H,6,11-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane after 180 mins by scintillation counting				J Med Chem 52: 6062-72 (2009) Article DOI: 10.1021/jm900909e BindingDB Entry DOI: 10.7270/Q2KH0ND9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50534288 (CHEMBL4472617) Show SMILES Oc1ccc(cc1)-c1cn(nn1)C1CN2CCC1CC2 |THB:9:12:15.16:19.18,(23.93,-41.63,;22.38,-41.63,;21.61,-42.96,;20.07,-42.95,;19.31,-41.61,;20.07,-40.28,;21.61,-40.28,;17.76,-41.61,;16.72,-42.74,;15.32,-42.09,;15.5,-40.56,;17.01,-40.26,;13.97,-42.84,;13.77,-44.23,;12.24,-43.57,;10.87,-44.2,;11.15,-42.81,;12.5,-42.2,;12.43,-40.56,;11.98,-41.67,)| Show InChI InChI=1S/C15H18N4O/c20-13-3-1-11(2-4-13)14-9-19(17-16-14)15-10-18-7-5-12(15)6-8-18/h1-4,9,12,15,20H,5-8,10H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mahidol University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK293 cell membranes after 120 mins by liquid scintillation counting				ACS Med Chem Lett 7: 890-895 (2016) Article DOI: 10.1021/acsmedchemlett.6b00146 BindingDB Entry DOI: 10.7270/Q2ZW1QDQ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50361995 (CHEMBL1939702) Show SMILES CC(N1CCC2(CC1)OC(CF)c1ccccc21)c1ccccc1 Show InChI InChI=1S/C21H24FNO/c1-16(17-7-3-2-4-8-17)23-13-11-21(12-14-23)19-10-6-5-9-18(19)20(15-22)24-21/h2-10,16,20H,11-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 180 mins by solid scintillation counting				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane after 180 mins by scintillation counting				J Med Chem 52: 6062-72 (2009) Article DOI: 10.1021/jm900909e BindingDB Entry DOI: 10.7270/Q2KH0ND9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by solid scintillation analysis				Bioorg Med Chem 17: 3630-41 (2009) Article DOI: 10.1016/j.bmc.2009.03.060 BindingDB Entry DOI: 10.7270/Q2BZ65XT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50102006 (3-[4-(6-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-c...) Show SMILES COc1ccc2CN(CCc2c1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)C#N |r,wU:12.13,15.20,(10.58,5.27,;9.25,6.04,;7.91,5.27,;7.91,3.73,;6.57,2.97,;5.25,3.74,;3.93,2.97,;2.59,3.75,;2.59,5.28,;3.93,6.05,;5.26,5.28,;6.59,6.04,;1.26,2.98,;1.26,1.44,;-.07,.67,;-1.41,1.45,;-1.41,2.97,;-.08,3.75,;-2.74,.67,;-2.89,-.87,;-4.41,-1.2,;-5.19,.14,;-6.69,.45,;-7.18,1.91,;-6.15,3.07,;-4.64,2.76,;-4.16,1.3,;-6.63,4.53,;-7.11,5.99,)| Show InChI InChI=1S/C25H27N3O/c1-29-22-8-5-20-16-28(11-10-19(20)13-22)21-6-3-18(4-7-21)24-15-27-25-9-2-17(14-26)12-23(24)25/h2,5,8-9,12-13,15,18,21,27H,3-4,6-7,10-11,16H2,1H3/t18-,21+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Interdisziplinäre Isotopenforschung Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 18: 4727-30 (2008) Article DOI: 10.1016/j.bmcl.2008.06.077 BindingDB Entry DOI: 10.7270/Q2M61K2K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM25870 (1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	4.38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Interdisziplinäre Isotopenforschung Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 18: 4727-30 (2008) Article DOI: 10.1016/j.bmcl.2008.06.077 BindingDB Entry DOI: 10.7270/Q2M61K2K
					More data for this Ligand-Target Pair				3D Structure (crystal)

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