Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50002929   

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 intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50464853 (CHEMBL4286654) Show SMILES Oc1ccc2CCC(CCc2c1)NCCCc1ccccc1 Show InChI InChI=1S/C20H25NO/c22-20-13-10-17-8-11-19(12-9-18(17)15-20)21-14-4-7-16-5-2-1-3-6-16/h1-3,5-6,10,13,15,19,21-22H,4,7-9,11-12,14H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma-2 receptor in rat liver membranes incubated for 120 mins measured for 5 mins by scintillation cou...				Eur J Med Chem 144: 672-681 (2018) Article DOI: 10.1016/j.ejmech.2017.12.054 BindingDB Entry DOI: 10.7270/Q2B56NDZ
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50009307 (DITOLYLGUANIDINE | Di-o-tolylguanidine) Show SMILES Cc1ccccc1NC(=N)Nc1ccccc1C 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)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma-2 receptor in rat liver membranes incubated for 120 mins measured for 5 mins by scintillation cou...				Eur J Med Chem 144: 672-681 (2018) Article DOI: 10.1016/j.ejmech.2017.12.054 BindingDB Entry DOI: 10.7270/Q2B56NDZ
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	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	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma-2 receptor in rat liver membranes incubated for 120 mins measured for 5 mins by scintillation cou...				Eur J Med Chem 144: 672-681 (2018) Article DOI: 10.1016/j.ejmech.2017.12.054 BindingDB Entry DOI: 10.7270/Q2B56NDZ
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50464852 (CHEMBL4284348) Show SMILES Oc1ccc2CCC(CCc2c1)NCCCCc1ccccc1 Show InChI InChI=1S/C21H27NO/c23-21-14-11-18-9-12-20(13-10-19(18)16-21)22-15-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,11,14,16,20,22-23H,4-5,8-10,12-13,15H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma-2 receptor in rat liver membranes incubated for 120 mins measured for 5 mins by scintillation cou...				Eur J Med Chem 144: 672-681 (2018) Article DOI: 10.1016/j.ejmech.2017.12.054 BindingDB Entry DOI: 10.7270/Q2B56NDZ
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50083351 ((+/-)-[2-(4-benzylpiperidino)-1-(4-hydroxyphenyl)-...) Show SMILES CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma-2 receptor in rat liver membranes incubated for 120 mins measured for 5 mins by scintillation cou...				Eur J Med Chem 144: 672-681 (2018) Article DOI: 10.1016/j.ejmech.2017.12.054 BindingDB Entry DOI: 10.7270/Q2B56NDZ
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50464854 (CHEMBL4287755) Show SMILES OCc1ccc2CCC(CCc2c1)NCCCCc1ccccc1 Show InChI InChI=1S/C22H29NO/c24-17-19-9-10-20-11-13-22(14-12-21(20)16-19)23-15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-10,16,22-24H,4-5,8,11-15,17H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	271	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma-2 receptor in rat liver membranes incubated for 120 mins measured for 5 mins by scintillation cou...				Eur J Med Chem 144: 672-681 (2018) Article DOI: 10.1016/j.ejmech.2017.12.054 BindingDB Entry DOI: 10.7270/Q2B56NDZ
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50464850 (CHEMBL4294991) Show SMILES OCc1ccc2CCC(CCc2c1)NCCCc1ccccc1 Show InChI InChI=1S/C21H27NO/c23-16-18-8-9-19-10-12-21(13-11-20(19)15-18)22-14-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-9,15,21-23H,4,7,10-14,16H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	592	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma-2 receptor in rat liver membranes incubated for 120 mins measured for 5 mins by scintillation cou...				Eur J Med Chem 144: 672-681 (2018) Article DOI: 10.1016/j.ejmech.2017.12.054 BindingDB Entry DOI: 10.7270/Q2B56NDZ
					More data for this Ligand-Target Pair