Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50027271   

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))	BDBM50252721 (1-(Cyclohexylmethyl)-6-methoxy-6,7-dihydrospiro[pi...) Show SMILES COC1Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1 Show InChI InChI=1S/C19H29NO2S/c1-21-18-13-17-16(7-12-23-17)19(22-18)8-10-20(11-9-19)14-15-5-3-2-4-6-15/h7,12,15,18H,2-6,8-11,13-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252946 (1-Benzyl-6-methoxy-6,7-dihydrospiro[piperidine-4,4...) Show SMILES COC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 Show InChI InChI=1S/C19H23NO2S/c1-21-18-13-17-16(7-12-23-17)19(22-18)8-10-20(11-9-19)14-15-5-3-2-4-6-15/h2-7,12,18H,8-11,13-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252759 (1-(4-Fluorobenzyl)-6-methoxy-6,7-dihydrospiro[pipe...) Show SMILES COC1Cc2sccc2C2(CCN(Cc3ccc(F)cc3)CC2)O1 Show InChI InChI=1S/C19H22FNO2S/c1-22-18-12-17-16(6-11-24-17)19(23-18)7-9-21(10-8-19)13-14-2-4-15(20)5-3-14/h2-6,11,18H,7-10,12-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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 Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252722 (6-Methoxy-1-(3-methylbutyl)-6,7-dihydrospiro[piper...) Show SMILES COC1Cc2sccc2C2(CCN(CCC(C)C)CC2)O1 Show InChI InChI=1S/C17H27NO2S/c1-13(2)4-8-18-9-6-17(7-10-18)14-5-11-21-15(14)12-16(19-3)20-17/h5,11,13,16H,4,6-10,12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252761 (6-Methoxy-1-(3-methylbut-2-enyl)-6,7-dihydrospiro[...) Show SMILES [#6]-[#8]-[#6]-1-[#6]-c2sccc2C2([#6]-[#6]-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]2)[#8]-1 Show InChI InChI=1S/C17H25NO2S/c1-13(2)4-8-18-9-6-17(7-10-18)14-5-11-21-15(14)12-16(19-3)20-17/h4-5,11,16H,6-10,12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) Show SMILES COC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 Show InChI InChI=1S/C21H25NO2/c1-23-20-15-18-9-5-6-10-19(18)21(24-20)11-13-22(14-12-21)16-17-7-3-2-4-8-17/h2-10,20H,11-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252763 (6-Methoxy-1-pentyl-6,7-dihydrospiro[piperidine-4,4...) Show SMILES CCCCCN1CCC2(CC1)OC(Cc1sccc21)OC Show InChI InChI=1S/C17H27NO2S/c1-3-4-5-9-18-10-7-17(8-11-18)14-6-12-21-15(14)13-16(19-2)20-17/h6,12,16H,3-5,7-11,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252760 (6'-methoxy-1-(thien-2-ylmethyl)-6',7'-dihydrospiro...) Show SMILES COC1Cc2sccc2C2(CCN(Cc3cccs3)CC2)O1 Show InChI InChI=1S/C17H21NO2S2/c1-19-16-11-15-14(4-10-22-15)17(20-16)5-7-18(8-6-17)12-13-3-2-9-21-13/h2-4,9-10,16H,5-8,11-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252758 (3'-methoxy-1-[(4-methoxyphenyl)methyl]-3',4'-dihyd...) Show SMILES COC1Cc2sccc2C2(CCN(Cc3ccc(OC)cc3)CC2)O1 Show InChI InChI=1S/C20H25NO3S/c1-22-16-5-3-15(4-6-16)14-21-10-8-20(9-11-21)17-7-12-25-18(17)13-19(23-2)24-20/h3-7,12,19H,8-11,13-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252724 (3-Methoxy-1-(3-phenylpropyl)-6,7-dihydrospiro[pipe...) Show SMILES COC1Cc2sccc2C2(CCN(CCCc3ccccc3)CC2)O1 Show InChI InChI=1S/C21H27NO2S/c1-23-20-16-19-18(9-15-25-19)21(24-20)10-13-22(14-11-21)12-5-8-17-6-3-2-4-7-17/h2-4,6-7,9,15,20H,5,8,10-14,16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					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 für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252762 (1-Butyl-6-methoxy-6,7-dihydrospiro[piperidine-4,4-...) Show SMILES CCCCN1CCC2(CC1)OC(Cc1sccc21)OC Show InChI InChI=1S/C16H25NO2S/c1-3-4-8-17-9-6-16(7-10-17)13-5-11-20-14(13)12-15(18-2)19-16/h5,11,15H,3-4,6-10,12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252948 (6-Methoxy-1-octyl-6,7-dihydrospiro[piperidine-4,4-...) Show SMILES CCCCCCCCN1CCC2(CC1)OC(Cc1sccc21)OC Show InChI InChI=1S/C20H33NO2S/c1-3-4-5-6-7-8-12-21-13-10-20(11-14-21)17-9-15-24-18(17)16-19(22-2)23-20/h9,15,19H,3-8,10-14,16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252947 (6-Methoxy-1-(2-phenylethyl)-6,7-dihydrospiro[piper...) Show SMILES COC1Cc2sccc2C2(CCN(CCc3ccccc3)CC2)O1 Show InChI InChI=1S/C20H25NO2S/c1-22-19-15-18-17(8-14-24-18)20(23-19)9-12-21(13-10-20)11-7-16-5-3-2-4-6-16/h2-6,8,14,19H,7,9-13,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252725 (3-Methoxy-1-(4-phenylbutyl)-6,7-dihydrospiro[piper...) Show SMILES COC1Cc2sccc2C2(CCN(CCCCc3ccccc3)CC2)O1 Show InChI InChI=1S/C22H29NO2S/c1-24-21-17-20-19(10-16-26-20)22(25-21)11-14-23(15-12-22)13-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,10,16,21H,5-6,9,11-15,17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM81982 (CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...) Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11| Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252723 (6-Methoxy-6,7-dihydrospiro[piperidine-4,4-thieno[3...) Show SMILES COC1Cc2sccc2C2(CCNCC2)O1 Show InChI InChI=1S/C12H17NO2S/c1-14-11-8-10-9(2-7-16-10)12(15-11)3-5-13-6-4-12/h2,7,11,13H,3-6,8H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	602	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair