Compile Data Set for Download or QSAR

Found 104 hits with Last Name = 'jones' and Initial = 'la'   

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
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50039613 ((2R,3R)-3-(4-Phenyl-piperidin-1-yl)-1,2,3,4-tetrah...) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C21H25NO/c23-21-15-19-9-5-4-8-18(19)14-20(21)22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-9,17,20-21,23H,10-15H2/t20-,21-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]vesamicol from human vesicular acetylcholine transporter expressed in rat PC12 cells by liquid scintillation spectrometry				J Med Chem 52: 1358-69 (2009) Article DOI: 10.1021/jm8012344 BindingDB Entry DOI: 10.7270/Q26W9B3B
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50046952 ((3'R,4'R)-1'-(4-Fluoro-benzyl)-4-phenyl-[1,3']bipi...) Show SMILES O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C23H29FN2O/c24-21-8-6-18(7-9-21)16-25-13-12-23(27)22(17-25)26-14-10-20(11-15-26)19-4-2-1-3-5-19/h1-9,20,22-23,27H,10-17H2/t22-,23-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]vesamicol from human vesicular acetylcholine transporter expressed in rat PC12 cells by liquid scintillation spectrometry				J Med Chem 52: 1358-69 (2009) Article DOI: 10.1021/jm8012344 BindingDB Entry DOI: 10.7270/Q26W9B3B
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50292908 ((+/-)-trans-2-Hydroxy-3-(4-(4-bromobenzoyl)piperid...) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C22H24BrNO2/c23-19-7-5-15(6-8-19)22(26)16-9-11-24(12-10-16)20-13-17-3-1-2-4-18(17)14-21(20)25/h1-8,16,20-21,25H,9-14H2/t20-,21-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]vesamicol from human vesicular acetylcholine transporter expressed in rat PC12 cells by liquid scintillation spectrometry				J Med Chem 52: 1358-69 (2009) Article DOI: 10.1021/jm8012344 BindingDB Entry DOI: 10.7270/Q26W9B3B
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50292905 ((2R,3R)-5-(3-iodoallyloxy)-3-(4-phenylpiperidin-1-...) Show SMILES O[C@@H]1Cc2cccc(OC\C=C\I)c2C[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C24H28INO2/c25-12-5-15-28-24-9-4-8-20-16-23(27)22(17-21(20)24)26-13-10-19(11-14-26)18-6-2-1-3-7-18/h1-9,12,19,22-23,27H,10-11,13-17H2/b12-5+/t22-,23-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]vesamicol from human vesicular acetylcholine transporter expressed in rat PC12 cells by liquid scintillation spectrometry				J Med Chem 52: 1358-69 (2009) Article DOI: 10.1021/jm8012344 BindingDB Entry DOI: 10.7270/Q26W9B3B
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50292910 ((+/-)-trans-2-Hydroxy-3-(4-(4-nitrobenzoyl)piperid...) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C22H24N2O4/c25-21-14-18-4-2-1-3-17(18)13-20(21)23-11-9-16(10-12-23)22(26)15-5-7-19(8-6-15)24(27)28/h1-8,16,20-21,25H,9-14H2/t20-,21-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]vesamicol from human vesicular acetylcholine transporter expressed in rat PC12 cells by liquid scintillation spectrometry				J Med Chem 52: 1358-69 (2009) Article DOI: 10.1021/jm8012344 BindingDB Entry DOI: 10.7270/Q26W9B3B
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50292906 ((2R,3R)-5-(3-fluoropropoxy)-3-(4-phenylpiperidin-1...) Show SMILES O[C@@H]1Cc2cccc(OCCCF)c2C[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C24H30FNO2/c25-12-5-15-28-24-9-4-8-20-16-23(27)22(17-21(20)24)26-13-10-19(11-14-26)18-6-2-1-3-7-18/h1-4,6-9,19,22-23,27H,5,10-17H2/t22-,23-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]vesamicol from human vesicular acetylcholine transporter expressed in rat PC12 cells by liquid scintillation spectrometry				J Med Chem 52: 1358-69 (2009) Article DOI: 10.1021/jm8012344 BindingDB Entry DOI: 10.7270/Q26W9B3B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50007872 (3-Ethyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxy...) Show SMILES CCn1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:12:13:20:16.17| Show InChI InChI=1S/C18H24N4O2/c1-3-21-15-6-4-5-7-16(15)22(18(21)24)17(23)19-12-10-13-8-9-14(11-12)20(13)2/h4-7,12-14H,3,8-11H2,1-2H3,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Washington University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to 5HT3 receptor (unknown origin)				Bioorg Med Chem 17: 1222-31 (2009) Article DOI: 10.1016/j.bmc.2008.12.025 BindingDB Entry DOI: 10.7270/Q2NP249V
					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	1.45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1-type opioid receptor in guinea pig brain homogenates				Bioorg Med Chem 17: 1222-31 (2009) Article DOI: 10.1016/j.bmc.2008.12.025 BindingDB Entry DOI: 10.7270/Q2NP249V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50292911 ((+/-)-trans-2-Hydroxy-3-(4-(4-aminobenzoyl)piperid...) Show SMILES Nc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1Cc2ccccc2C[C@H]1O |r| Show InChI InChI=1S/C22H26N2O2/c23-19-7-5-15(6-8-19)22(26)16-9-11-24(12-10-16)20-13-17-3-1-2-4-18(17)14-21(20)25/h1-8,16,20-21,25H,9-14,23H2/t20-,21-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]vesamicol from human vesicular acetylcholine transporter expressed in rat PC12 cells by liquid scintillation spectrometry				J Med Chem 52: 1358-69 (2009) Article DOI: 10.1021/jm8012344 BindingDB Entry DOI: 10.7270/Q26W9B3B
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50018094 ((1R,2R)-2-(4-Phenyl-piperidin-1-yl)-cyclohexanol |...) Show SMILES O[C@@H]1CCCC[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]vesamicol from human vesicular acetylcholine transporter expressed in rat PC12 cells by liquid scintillation spectrometry				J Med Chem 52: 1358-69 (2009) Article DOI: 10.1021/jm8012344 BindingDB Entry DOI: 10.7270/Q26W9B3B
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50292907 ((+)-trans-(4-fluorophenyl)(1-(3-hydroxy-1,2,3,4-te...) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H24FNO2/c23-19-7-5-15(6-8-19)22(26)16-9-11-24(12-10-16)20-13-17-3-1-2-4-18(17)14-21(20)25/h1-8,16,20-21,25H,9-14H2/t20-,21-/m1/s1	KEGG UniProtKB/SwissProt 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
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]vesamicol from human vesicular acetylcholine transporter expressed in rat PC12 cells by liquid scintillation spectrometry				J Med Chem 52: 1358-69 (2009) Article DOI: 10.1021/jm8012344 BindingDB Entry DOI: 10.7270/Q26W9B3B
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50292909 ((+/-)-trans-2-Hydroxy-3-(4-benzoylpiperidino)tetra...) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H25NO2/c24-21-15-19-9-5-4-8-18(19)14-20(21)23-12-10-17(11-13-23)22(25)16-6-2-1-3-7-16/h1-9,17,20-21,24H,10-15H2/t20-,21-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]vesamicol from human vesicular acetylcholine transporter expressed in rat PC12 cells by liquid scintillation spectrometry				J Med Chem 52: 1358-69 (2009) Article DOI: 10.1021/jm8012344 BindingDB Entry DOI: 10.7270/Q26W9B3B
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50292903 ((1R,2R,4S)-4-(4-fluorobenzyloxy)-2-(4-phenylpiperi...) Show SMILES O[C@@H]1CC[C@@H](C[C@H]1N1CCC(CC1)c1ccccc1)OCc1ccc(F)cc1 |r| Show InChI InChI=1S/C24H30FNO2/c25-21-8-6-18(7-9-21)17-28-22-10-11-24(27)23(16-22)26-14-12-20(13-15-26)19-4-2-1-3-5-19/h1-9,20,22-24,27H,10-17H2/t22-,23+,24+/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]vesamicol from human vesicular acetylcholine transporter expressed in rat PC12 cells by liquid scintillation spectrometry				J Med Chem 52: 1358-69 (2009) Article DOI: 10.1021/jm8012344 BindingDB Entry DOI: 10.7270/Q26W9B3B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50007872 (3-Ethyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxy...) Show SMILES CCn1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:12:13:20:16.17| Show InChI InChI=1S/C18H24N4O2/c1-3-21-15-6-4-5-7-16(15)22(18(21)24)17(23)19-12-10-13-8-9-14(11-12)20(13)2/h4-7,12-14H,3,8-11H2,1-2H3,(H,19,23)	PDB UniProtKB/SwissProt antibodypedia 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
Washington University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to 5HT4 receptor (unknown origin)				Bioorg Med Chem 17: 1222-31 (2009) Article DOI: 10.1016/j.bmc.2008.12.025 BindingDB Entry DOI: 10.7270/Q2NP249V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50292904 ((1R,2R,5R)-5-(4-fluorobenzyloxy)-2-(4-phenylpiperi...) Show SMILES O[C@@H]1C[C@@H](CC[C@H]1N1CCC(CC1)c1ccccc1)OCc1ccc(F)cc1 |r| Show InChI InChI=1S/C24H30FNO2/c25-21-8-6-18(7-9-21)17-28-22-10-11-23(24(27)16-22)26-14-12-20(13-15-26)19-4-2-1-3-5-19/h1-9,20,22-24,27H,10-17H2/t22-,23-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane by liquid scintillation counting				J Med Chem 52: 1358-69 (2009) Article DOI: 10.1021/jm8012344 BindingDB Entry DOI: 10.7270/Q26W9B3B
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50046952 ((3'R,4'R)-1'-(4-Fluoro-benzyl)-4-phenyl-[1,3']bipi...) Show SMILES O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C23H29FN2O/c24-21-8-6-18(7-9-21)16-25-13-12-23(27)22(17-25)26-14-10-20(11-15-26)19-4-2-1-3-5-19/h1-9,20,22-23,27H,10-17H2/t22-,23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane by liquid scintillation counting				J Med Chem 52: 1358-69 (2009) Article DOI: 10.1021/jm8012344 BindingDB Entry DOI: 10.7270/Q26W9B3B
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50018094 ((1R,2R)-2-(4-Phenyl-piperidin-1-yl)-cyclohexanol |...) Show SMILES O[C@@H]1CCCC[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane by liquid scintillation counting				J Med Chem 52: 1358-69 (2009) Article DOI: 10.1021/jm8012344 BindingDB Entry DOI: 10.7270/Q26W9B3B
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50292903 ((1R,2R,4S)-4-(4-fluorobenzyloxy)-2-(4-phenylpiperi...) Show SMILES O[C@@H]1CC[C@@H](C[C@H]1N1CCC(CC1)c1ccccc1)OCc1ccc(F)cc1 |r| Show InChI InChI=1S/C24H30FNO2/c25-21-8-6-18(7-9-21)17-28-22-10-11-24(27)23(16-22)26-14-12-20(13-15-26)19-4-2-1-3-5-19/h1-9,20,22-24,27H,10-17H2/t22-,23+,24+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane by liquid scintillation counting				J Med Chem 52: 1358-69 (2009) Article DOI: 10.1021/jm8012344 BindingDB Entry DOI: 10.7270/Q26W9B3B
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50255827 (9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl 2-methoxy-5...) Show SMILES COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccccc1 |TLB:12:13:21:16.17.18| Show InChI InChI=1S/C24H30N2O3/c1-17-11-12-23(28-2)22(13-17)25-24(27)29-21-14-19-9-6-10-20(15-21)26(19)16-18-7-4-3-5-8-18/h3-5,7-8,11-13,19-21H,6,9-10,14-16H2,1-2H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	92.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1-type opioid receptor in guinea pig brain homogenates				Bioorg Med Chem 17: 1222-31 (2009) Article DOI: 10.1016/j.bmc.2008.12.025 BindingDB Entry DOI: 10.7270/Q2NP249V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50292907 ((+)-trans-(4-fluorophenyl)(1-(3-hydroxy-1,2,3,4-te...) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H24FNO2/c23-19-7-5-15(6-8-19)22(26)16-9-11-24(12-10-16)20-13-17-3-1-2-4-18(17)14-21(20)25/h1-8,16,20-21,25H,9-14H2/t20-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	186	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane by liquid scintillation counting				J Med Chem 52: 1358-69 (2009) Article DOI: 10.1021/jm8012344 BindingDB Entry DOI: 10.7270/Q26W9B3B
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50292907 ((+)-trans-(4-fluorophenyl)(1-(3-hydroxy-1,2,3,4-te...) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H24FNO2/c23-19-7-5-15(6-8-19)22(26)16-9-11-24(12-10-16)20-13-17-3-1-2-4-18(17)14-21(20)25/h1-8,16,20-21,25H,9-14H2/t20-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	186	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane by liquid scintillation counting				J Med Chem 52: 1358-69 (2009) Article DOI: 10.1021/jm8012344 BindingDB Entry DOI: 10.7270/Q26W9B3B
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50292909 ((+/-)-trans-2-Hydroxy-3-(4-benzoylpiperidino)tetra...) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H25NO2/c24-21-15-19-9-5-4-8-18(19)14-20(21)23-12-10-17(11-13-23)22(25)16-6-2-1-3-7-16/h1-9,17,20-21,24H,10-15H2/t20-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane by liquid scintillation counting				J Med Chem 52: 1358-69 (2009) Article DOI: 10.1021/jm8012344 BindingDB Entry DOI: 10.7270/Q26W9B3B
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50292908 ((+/-)-trans-2-Hydroxy-3-(4-(4-bromobenzoyl)piperid...) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C22H24BrNO2/c23-19-7-5-15(6-8-19)22(26)16-9-11-24(12-10-16)20-13-17-3-1-2-4-18(17)14-21(20)25/h1-8,16,20-21,25H,9-14H2/t20-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	298	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane by liquid scintillation counting				J Med Chem 52: 1358-69 (2009) Article DOI: 10.1021/jm8012344 BindingDB Entry DOI: 10.7270/Q26W9B3B
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50255707 (9-(4-Methoxybenzyl)-9-azabicyclo[3.3.1]nonan-3-yl-...) Show SMILES COc1ccc(CN2C3CCCC2CC(C3)OC(=O)Nc2cc(C)ccc2OC)cc1 |THB:16:14:7:9.10.11| Show InChI InChI=1S/C25H32N2O4/c1-17-7-12-24(30-3)23(13-17)26-25(28)31-22-14-19-5-4-6-20(15-22)27(19)16-18-8-10-21(29-2)11-9-18/h7-13,19-20,22H,4-6,14-16H2,1-3H3,(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	323	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1-type opioid receptor in guinea pig brain homogenates				Bioorg Med Chem 17: 1222-31 (2009) Article DOI: 10.1016/j.bmc.2008.12.025 BindingDB Entry DOI: 10.7270/Q2NP249V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50216057 (CHEMBL226539 | N-[6,7-dimethoxy-3,4-dihydro-1H-iso...) Show SMILES COc1cc2CCN(CCCCNC(=O)c3cc(C)ccc3OCCF)Cc2cc1OC Show InChI InChI=1S/C25H33FN2O4/c1-18-6-7-22(32-13-9-26)21(14-18)25(29)27-10-4-5-11-28-12-8-19-15-23(30-2)24(31-3)16-20(19)17-28/h6-7,14-16H,4-5,8-13,17H2,1-3H3,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)pentazocine from sigma 1 receptor in guinea pig brain membrane after 90 mins				J Med Chem 50: 3194-204 (2007) Article DOI: 10.1021/jm0614883 BindingDB Entry DOI: 10.7270/Q23T9GX4
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50292904 ((1R,2R,5R)-5-(4-fluorobenzyloxy)-2-(4-phenylpiperi...) Show SMILES O[C@@H]1C[C@@H](CC[C@H]1N1CCC(CC1)c1ccccc1)OCc1ccc(F)cc1 |r| Show InChI InChI=1S/C24H30FNO2/c25-21-8-6-18(7-9-21)17-28-22-10-11-23(24(27)16-22)26-14-12-20(13-15-26)19-4-2-1-3-5-19/h1-9,20,22-24,27H,10-17H2/t22-,23-,24-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]vesamicol from human vesicular acetylcholine transporter expressed in rat PC12 cells by liquid scintillation spectrometry				J Med Chem 52: 1358-69 (2009) Article DOI: 10.1021/jm8012344 BindingDB Entry DOI: 10.7270/Q26W9B3B
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50255764 (9-(4-Methoxyphenethyl)-9-azabicyclo[3.3.1]nonan-3-...) Show SMILES COc1ccc(CCN2C3CCCC2CC(C3)OC(=O)Nc2cc(C)ccc2OC)cc1 |THB:17:15:8:10.11.12| Show InChI InChI=1S/C26H34N2O4/c1-18-7-12-25(31-3)24(15-18)27-26(29)32-23-16-20-5-4-6-21(17-23)28(20)14-13-19-8-10-22(30-2)11-9-19/h7-12,15,20-21,23H,4-6,13-14,16-17H2,1-3H3,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	447	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1-type opioid receptor in guinea pig brain homogenates				Bioorg Med Chem 17: 1222-31 (2009) Article DOI: 10.1016/j.bmc.2008.12.025 BindingDB Entry DOI: 10.7270/Q2NP249V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50255827 (9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl 2-methoxy-5...) Show SMILES COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccccc1 |TLB:12:13:21:16.17.18| Show InChI InChI=1S/C24H30N2O3/c1-17-11-12-23(28-2)22(13-17)25-24(27)29-21-14-19-9-6-10-20(15-21)26(19)16-18-7-4-3-5-8-18/h3-5,7-8,11-13,19-21H,6,9-10,14-16H2,1-2H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to 5HT4 receptor (unknown origin)				Bioorg Med Chem 17: 1222-31 (2009) Article DOI: 10.1016/j.bmc.2008.12.025 BindingDB Entry DOI: 10.7270/Q2NP249V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50255827 (9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl 2-methoxy-5...) Show SMILES COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccccc1 |TLB:12:13:21:16.17.18| Show InChI InChI=1S/C24H30N2O3/c1-17-11-12-23(28-2)22(13-17)25-24(27)29-21-14-19-9-6-10-20(15-21)26(19)16-18-7-4-3-5-8-18/h3-5,7-8,11-13,19-21H,6,9-10,14-16H2,1-2H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to 5HT3 receptor (unknown origin)				Bioorg Med Chem 17: 1222-31 (2009) Article DOI: 10.1016/j.bmc.2008.12.025 BindingDB Entry DOI: 10.7270/Q2NP249V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50216059 (CHEMBL226540 | N-[4-(6,7-dimethoxy-3,4-dihydro-1H-...) Show SMILES COc1cc2CCN(CCCCNC(=O)c3cc(Br)ccc3OCCF)Cc2cc1OC Show InChI InChI=1S/C24H30BrFN2O4/c1-30-22-13-17-7-11-28(16-18(17)14-23(22)31-2)10-4-3-9-27-24(29)20-15-19(25)5-6-21(20)32-12-8-26/h5-6,13-15H,3-4,7-12,16H2,1-2H3,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)pentazocine from sigma 1 receptor in guinea pig brain membrane after 90 mins				J Med Chem 50: 3194-204 (2007) Article DOI: 10.1021/jm0614883 BindingDB Entry DOI: 10.7270/Q23T9GX4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50255655 (9-Allyl-9-azabicyclo[3.3.1]nonan-3-yl 2-methoxy-5-...) Show SMILES COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2CC=C |TLB:12:13:21:16.17.18| Show InChI InChI=1S/C20H28N2O3/c1-4-10-22-15-6-5-7-16(22)13-17(12-15)25-20(23)21-18-11-14(2)8-9-19(18)24-3/h4,8-9,11,15-17H,1,5-7,10,12-13H2,2-3H3,(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1-type opioid receptor in guinea pig brain homogenates				Bioorg Med Chem 17: 1222-31 (2009) Article DOI: 10.1016/j.bmc.2008.12.025 BindingDB Entry DOI: 10.7270/Q2NP249V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50216055 (CHEMBL387741 | N-[4-(6,7-dimethoxy-3,4-dihydro-1H-...) Show SMILES COc1cc2CCN(CCCCNC(=O)c3cc(I)ccc3OCCF)Cc2cc1OC Show InChI InChI=1S/C24H30FIN2O4/c1-30-22-13-17-7-11-28(16-18(17)14-23(22)31-2)10-4-3-9-27-24(29)20-15-19(26)5-6-21(20)32-12-8-25/h5-6,13-15H,3-4,7-12,16H2,1-2H3,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)pentazocine from sigma 1 receptor in guinea pig brain membrane after 90 mins				J Med Chem 50: 3194-204 (2007) Article DOI: 10.1021/jm0614883 BindingDB Entry DOI: 10.7270/Q23T9GX4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50255709 (9-(4-(Dimethylamino)benzyl)-9-azabicyclo[3.3.1]non...) Show SMILES COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccc(cc1)N(C)C |TLB:12:13:21:16.17.18| Show InChI InChI=1S/C26H35N3O3/c1-18-8-13-25(31-4)24(14-18)27-26(30)32-23-15-21-6-5-7-22(16-23)29(21)17-19-9-11-20(12-10-19)28(2)3/h8-14,21-23H,5-7,15-17H2,1-4H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1-type opioid receptor in guinea pig brain homogenates				Bioorg Med Chem 17: 1222-31 (2009) Article DOI: 10.1016/j.bmc.2008.12.025 BindingDB Entry DOI: 10.7270/Q2NP249V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50255656 (9-((Pyridine-4-yl)methyl)-9-azabicyclo[3.3.1]nonan...) Show SMILES COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccncc1 |TLB:12:13:21:16.17.18| Show InChI InChI=1S/C23H29N3O3/c1-16-6-7-22(28-2)21(12-16)25-23(27)29-20-13-18-4-3-5-19(14-20)26(18)15-17-8-10-24-11-9-17/h6-12,18-20H,3-5,13-15H2,1-2H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1-type opioid receptor in guinea pig brain homogenates				Bioorg Med Chem 17: 1222-31 (2009) Article DOI: 10.1016/j.bmc.2008.12.025 BindingDB Entry DOI: 10.7270/Q2NP249V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50255708 (9-(4-(2-Fluoroethyl)benzyl)-9-azabicyclo[3.3.1]non...) Show SMILES COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccc(CCF)cc1 |TLB:12:13:21:16.17.18| Show InChI InChI=1S/C26H33FN2O3/c1-18-6-11-25(31-2)24(14-18)28-26(30)32-23-15-21-4-3-5-22(16-23)29(21)17-20-9-7-19(8-10-20)12-13-27/h6-11,14,21-23H,3-5,12-13,15-17H2,1-2H3,(H,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.71E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1-type opioid receptor in guinea pig brain homogenates				Bioorg Med Chem 17: 1222-31 (2009) Article DOI: 10.1016/j.bmc.2008.12.025 BindingDB Entry DOI: 10.7270/Q2NP249V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50255766 (9-(4-(Dimethylamino)phenethyl)-9-azabicyclo[3.3.1]...) Show SMILES COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2CCc1ccc(cc1)N(C)C |TLB:12:13:21:16.17.18| Show InChI InChI=1S/C27H37N3O3/c1-19-8-13-26(32-4)25(16-19)28-27(31)33-24-17-22-6-5-7-23(18-24)30(22)15-14-20-9-11-21(12-10-20)29(2)3/h8-13,16,22-24H,5-7,14-15,17-18H2,1-4H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1-type opioid receptor in guinea pig brain homogenates				Bioorg Med Chem 17: 1222-31 (2009) Article DOI: 10.1016/j.bmc.2008.12.025 BindingDB Entry DOI: 10.7270/Q2NP249V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50255654 (9-(2-Fluoroethyl)-9-azabicyclo[3.3.1]nonan-3-yl-2-...) Show SMILES COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2CCF |TLB:12:13:21:16.17.18| Show InChI InChI=1S/C19H27FN2O3/c1-13-6-7-18(24-2)17(10-13)21-19(23)25-16-11-14-4-3-5-15(12-16)22(14)9-8-20/h6-7,10,14-16H,3-5,8-9,11-12H2,1-2H3,(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1-type opioid receptor in guinea pig brain homogenates				Bioorg Med Chem 17: 1222-31 (2009) Article DOI: 10.1016/j.bmc.2008.12.025 BindingDB Entry DOI: 10.7270/Q2NP249V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50255706 (9-(4-(Methylthio)benzyl)-9-azabicyclo[3.3.1]nonan-...) Show SMILES COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccc(SC)cc1 |TLB:12:13:21:16.17.18| Show InChI InChI=1S/C25H32N2O3S/c1-17-7-12-24(29-2)23(13-17)26-25(28)30-21-14-19-5-4-6-20(15-21)27(19)16-18-8-10-22(31-3)11-9-18/h7-13,19-21H,4-6,14-16H2,1-3H3,(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1-type opioid receptor in guinea pig brain homogenates				Bioorg Med Chem 17: 1222-31 (2009) Article DOI: 10.1016/j.bmc.2008.12.025 BindingDB Entry DOI: 10.7270/Q2NP249V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50216056 ((N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(CCCCNC(=O)c3cc(I)cc(OC)c3OCCF)Cc2cc1OC Show InChI InChI=1S/C25H32FIN2O5/c1-31-21-12-17-6-10-29(16-18(17)13-22(21)32-2)9-5-4-8-28-25(30)20-14-19(27)15-23(33-3)24(20)34-11-7-26/h12-15H,4-11,16H2,1-3H3,(H,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)pentazocine from sigma 1 receptor in guinea pig brain membrane after 90 mins				J Med Chem 50: 3194-204 (2007) Article DOI: 10.1021/jm0614883 BindingDB Entry DOI: 10.7270/Q23T9GX4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50255657 (9-((Pyridine-3-yl)methyl)-9-azabicyclo[3.3.1]nonan...) Show SMILES COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1cccnc1 |TLB:12:13:21:16.17.18| Show InChI InChI=1S/C23H29N3O3/c1-16-8-9-22(28-2)21(11-16)25-23(27)29-20-12-18-6-3-7-19(13-20)26(18)15-17-5-4-10-24-14-17/h4-5,8-11,14,18-20H,3,6-7,12-13,15H2,1-2H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1-type opioid receptor in guinea pig brain homogenates				Bioorg Med Chem 17: 1222-31 (2009) Article DOI: 10.1016/j.bmc.2008.12.025 BindingDB Entry DOI: 10.7270/Q2NP249V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50255658 (9-((6-Fluoropyridine-3-yl)methyl)-9-azabicyclo[3.3...) Show SMILES COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccc(F)nc1 |TLB:12:13:21:16.17.18| Show InChI InChI=1S/C23H28FN3O3/c1-15-6-8-21(29-2)20(10-15)26-23(28)30-19-11-17-4-3-5-18(12-19)27(17)14-16-7-9-22(24)25-13-16/h6-10,13,17-19H,3-5,11-12,14H2,1-2H3,(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1-type opioid receptor in guinea pig brain homogenates				Bioorg Med Chem 17: 1222-31 (2009) Article DOI: 10.1016/j.bmc.2008.12.025 BindingDB Entry DOI: 10.7270/Q2NP249V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50255765 (9-(4-(2-Fluoroethyl)phenethyl)-9-azabicyclo[3.3.1]...) Show SMILES COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2CCc1ccc(CCF)cc1 |TLB:12:13:21:16.17.18| Show InChI InChI=1S/C27H35FN2O3/c1-19-6-11-26(32-2)25(16-19)29-27(31)33-24-17-22-4-3-5-23(18-24)30(22)15-13-21-9-7-20(8-10-21)12-14-28/h6-11,16,22-24H,3-5,12-15,17-18H2,1-2H3,(H,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1-type opioid receptor in guinea pig brain homogenates				Bioorg Med Chem 17: 1222-31 (2009) Article DOI: 10.1016/j.bmc.2008.12.025 BindingDB Entry DOI: 10.7270/Q2NP249V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50255828 (CHEMBL480252 | N-(4-(6,7-dihydroperoxy-3,4-dihydro...) Show SMILES COc1ccc(C)cc1C(=O)NCCCCN1CCc2cc(OO)c(OO)cc2C1 Show InChI InChI=1S/C22H28N2O6/c1-15-5-6-19(28-2)18(11-15)22(25)23-8-3-4-9-24-10-7-16-12-20(29-26)21(30-27)13-17(16)14-24/h5-6,11-13,26-27H,3-4,7-10,14H2,1-2H3,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1-type opioid receptor in guinea pig brain homogenates				Bioorg Med Chem 17: 1222-31 (2009) Article DOI: 10.1016/j.bmc.2008.12.025 BindingDB Entry DOI: 10.7270/Q2NP249V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50007872 (3-Ethyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxy...) Show SMILES CCn1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:12:13:20:16.17| Show InChI InChI=1S/C18H24N4O2/c1-3-21-15-6-4-5-7-16(15)22(18(21)24)17(23)19-12-10-13-8-9-14(11-12)20(13)2/h4-7,12-14H,3,8-11H2,1-2H3,(H,19,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1-type opioid receptor in guinea pig brain homogenates				Bioorg Med Chem 17: 1222-31 (2009) Article DOI: 10.1016/j.bmc.2008.12.025 BindingDB Entry DOI: 10.7270/Q2NP249V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50216058 (5-bromo-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...) Show SMILES COc1cc2CCN(CCCCNC(=O)c3cc(Br)cc(OC)c3OCCF)Cc2cc1OC Show InChI InChI=1S/C25H32BrFN2O5/c1-31-21-12-17-6-10-29(16-18(17)13-22(21)32-2)9-5-4-8-28-25(30)20-14-19(26)15-23(33-3)24(20)34-11-7-27/h12-15H,4-11,16H2,1-3H3,(H,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)pentazocine from sigma 1 receptor in guinea pig brain membrane after 90 mins				J Med Chem 50: 3194-204 (2007) Article DOI: 10.1021/jm0614883 BindingDB Entry DOI: 10.7270/Q23T9GX4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50216060 (CHEMBL389261 | [N-(6,7-dimethoxy-3,4-dihydro-1H-is...) Show SMILES COc1cc2CCN(CCNC(=O)c3cc(C)ccc3OCCF)Cc2cc1OC Show InChI InChI=1S/C23H29FN2O4/c1-16-4-5-20(30-11-7-24)19(12-16)23(27)25-8-10-26-9-6-17-13-21(28-2)22(29-3)14-18(17)15-26/h4-5,12-14H,6-11,15H2,1-3H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.28E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)pentazocine from sigma 1 receptor in guinea pig brain membrane after 90 mins				J Med Chem 50: 3194-204 (2007) Article DOI: 10.1021/jm0614883 BindingDB Entry DOI: 10.7270/Q23T9GX4
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM31592 (PF-2545920 | US9138494, MP-10 | substituted pyraz...) Show SMILES Cn1cc(c(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1 Show InChI InChI=1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of full-length human recombinant PDE10A using cyclic AMP as substrate by scintillation proximity assay				Bioorg Med Chem 22: 2648-54 (2014) Article DOI: 10.1016/j.bmc.2014.03.028 BindingDB Entry DOI: 10.7270/Q26M38C2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50446668 (CHEMBL3113568) Show SMILES FCCOc1ccc(cc1)-c1nc2cccc3C(=O)NCCn1c23 Show InChI InChI=1S/C18H16FN3O2/c19-8-11-24-13-6-4-12(5-7-13)17-21-15-3-1-2-14-16(15)22(17)10-9-20-18(14)23/h1-7H,8-11H2,(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Washington University in Saint Louis Curated by ChEMBL					Assay Description Inhibition of PARP-1 (unknown origin) assessed as NAD+ consumption after 20 mins by fluorometric analysis in presence of activated DNA				Bioorg Med Chem 22: 1700-7 (2014) Article DOI: 10.1016/j.bmc.2014.01.019 BindingDB Entry DOI: 10.7270/Q2TX3GVH
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50446671 (CHEMBL3113565) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(OCCF)cc1 Show InChI InChI=1S/C16H14FN3O2/c17-8-9-22-11-6-4-10(5-7-11)16-19-13-3-1-2-12(15(18)21)14(13)20-16/h1-7H,8-9H2,(H2,18,21)(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Washington University in Saint Louis Curated by ChEMBL					Assay Description Inhibition of PARP-1 (unknown origin) assessed as NAD+ consumption after 20 mins by fluorometric analysis in presence of activated DNA				Bioorg Med Chem 22: 1700-7 (2014) Article DOI: 10.1016/j.bmc.2014.01.019 BindingDB Entry DOI: 10.7270/Q2TX3GVH
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50341860 (8-chloro-2-(4-(4-(4-fluorophenyl)-5,6-dihydropyrid...) Show SMILES Fc1ccc(cc1)C1=CCN(CCCCc2nc3c(Cl)cccc3c(=O)[nH]2)CC1 |t:8| Show InChI InChI=1S/C23H23ClFN3O/c24-20-5-3-4-19-22(20)26-21(27-23(19)29)6-1-2-13-28-14-11-17(12-15-28)16-7-9-18(25)10-8-16/h3-5,7-11H,1-2,6,12-15H2,(H,26,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay				J Med Chem 54: 2049-59 (2011) Article DOI: 10.1021/jm1010918 BindingDB Entry DOI: 10.7270/Q24B31NC
					More data for this Ligand-Target Pair

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