Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50040165   

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))	BDBM50390197 (CHEMBL1917286) Show SMILES FCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 Show InChI InChI=1S/C22H25FN2O2/c23-9-14-26-20-7-5-18(6-8-20)16-24-10-12-25(13-11-24)17-21-15-19-3-1-2-4-22(19)27-21/h1-8,15H,9-14,16-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50390205 (CHEMBL2069863) Show SMILES FCCOc1ccc(CN2CCCN(Cc3cc4ccccc4o3)CC2)cc1 Show InChI InChI=1S/C23H27FN2O2/c24-10-15-27-21-8-6-19(7-9-21)17-25-11-3-12-26(14-13-25)18-22-16-20-4-1-2-5-23(20)28-22/h1-2,4-9,16H,3,10-15,17-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50390207 (CHEMBL2069865) Show SMILES FCCCOc1ccc(CN2CCCN(Cc3cc4ccccc4o3)CC2)cc1 Show InChI InChI=1S/C24H29FN2O2/c25-11-3-16-28-22-9-7-20(8-10-22)18-26-12-4-13-27(15-14-26)19-23-17-21-5-1-2-6-24(21)29-23/h1-2,5-10,17H,3-4,11-16,18-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50390206 (CHEMBL2069864) Show SMILES CCCOc1ccc(CN2CCCN(Cc3cc4ccccc4o3)CC2)cc1 Show InChI InChI=1S/C24H30N2O2/c1-2-16-27-22-10-8-20(9-11-22)18-25-12-5-13-26(15-14-25)19-23-17-21-6-3-4-7-24(21)28-23/h3-4,6-11,17H,2,5,12-16,18-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.152	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50324100 (CHEMBL1214830 | N-((Benzofuran-2-yl)methyl)-N'-(4'...) Show SMILES COc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 Show InChI InChI=1S/C21H24N2O2/c1-24-19-8-6-17(7-9-19)15-22-10-12-23(13-11-22)16-20-14-18-4-2-3-5-21(18)25-20/h2-9,14H,10-13,15-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50324097 (CHEMBL1214831 | N-(Benzofuran-2-ylmethyl)-N'-(4'-e...) Show SMILES CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 Show InChI InChI=1S/C22H26N2O2/c1-2-25-20-9-7-18(8-10-20)16-23-11-13-24(14-12-23)17-21-15-19-5-3-4-6-22(19)26-21/h3-10,15H,2,11-14,16-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50390204 (CHEMBL2069862) Show SMILES CCOc1ccc(CN2CCCN(Cc3cc4ccccc4o3)CC2)cc1 Show InChI InChI=1S/C23H28N2O2/c1-2-26-21-10-8-19(9-11-21)17-24-12-5-13-25(15-14-24)18-22-16-20-6-3-4-7-23(20)27-22/h3-4,6-11,16H,2,5,12-15,17-18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.194	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50390203 (CHEMBL2069861) Show SMILES COc1ccc(CN2CCCN(Cc3cc4ccccc4o3)CC2)cc1 Show InChI InChI=1S/C22H26N2O2/c1-25-20-9-7-18(8-10-20)16-23-11-4-12-24(14-13-23)17-21-15-19-5-2-3-6-22(19)26-21/h2-3,5-10,15H,4,11-14,16-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50374598 (CHEMBL272603 | US9604926, Compound CM-156 | US9724...) Show SMILES S=c1sc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C21H31N3S2/c25-21-24(19-10-4-5-11-20(19)26-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate after 120 mins				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50068454 (1-[2-(3-Methoxy-phenyl)-ethyl]-4-(3-phenyl-propyl)...) Show SMILES COc1cccc(CCN2CCN(CCCc3ccccc3)CC2)c1 Show InChI InChI=1S/C22H30N2O/c1-25-22-11-5-9-21(19-22)12-14-24-17-15-23(16-18-24)13-6-10-20-7-3-2-4-8-20/h2-5,7-9,11,19H,6,10,12-18H2,1H3	PDB 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
The University of Sydney Curated by ChEMBL					Assay Description Binding affinity to sigma1 receptor				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50324086 (CHEMBL1214893 | N-(Benzofuran-2-ylmethyl)-N'-(4'-(...) Show SMILES FCCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 Show InChI InChI=1S/C23H27FN2O2/c24-10-3-15-27-21-8-6-19(7-9-21)17-25-11-13-26(14-12-25)18-22-16-20-4-1-2-5-23(20)28-22/h1-2,4-9,16H,3,10-15,17-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Binding affinity to sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50125096 (1,4-Dibenzyl-piperazine | 1,4-Dibenzyl-piperazine,...) Show SMILES C(N1CCN(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C18H22N2/c1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18/h1-10H,11-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Binding affinity to sigma1 receptor				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50390200 (CHEMBL2069964) Show SMILES FCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)C2)cc1 Show InChI InChI=1S/C21H23FN2O2/c22-9-12-25-19-7-5-17(6-8-19)14-23-10-11-24(16-23)15-20-13-18-3-1-2-4-21(18)26-20/h1-8,13H,9-12,14-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50324085 (CHEMBL1214892 | N-(Benzofuran-2-ylmethyl)-N'-(4'-p...) Show SMILES CCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 Show InChI InChI=1S/C23H28N2O2/c1-2-15-26-21-9-7-19(8-10-21)17-24-11-13-25(14-12-24)18-22-16-20-5-3-4-6-23(20)27-22/h3-10,16H,2,11-15,17-18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50390199 (CHEMBL2069963) Show SMILES CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)C2)cc1 Show InChI InChI=1S/C21H24N2O2/c1-2-24-19-9-7-17(8-10-19)14-22-11-12-23(16-22)15-20-13-18-5-3-4-6-21(18)25-20/h3-10,13H,2,11-12,14-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50390202 (CHEMBL2069966) Show SMILES FCCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)C2)cc1 Show InChI InChI=1S/C22H25FN2O2/c23-10-3-13-26-20-8-6-18(7-9-20)15-24-11-12-25(17-24)16-21-14-19-4-1-2-5-22(19)27-21/h1-2,4-9,14H,3,10-13,15-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50048867 (1-Benzyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-naphth...) Show SMILES COc1cccc2C(CCCN3CCN(Cc4ccccc4)CC3)CCCc12 Show InChI InChI=1S/C25H34N2O/c1-28-25-14-6-12-23-22(10-5-13-24(23)25)11-7-15-26-16-18-27(19-17-26)20-21-8-3-2-4-9-21/h2-4,6,8-9,12,14,22H,5,7,10-11,13,15-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Binding affinity to sigma1 receptor				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50390198 (CHEMBL2069962) Show SMILES COc1ccc(CN2CCN(Cc3cc4ccccc4o3)C2)cc1 Show InChI InChI=1S/C20H22N2O2/c1-23-18-8-6-16(7-9-18)13-21-10-11-22(15-21)14-19-12-17-4-2-3-5-20(17)24-19/h2-9,12H,10-11,13-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50390201 (CHEMBL2069965) Show SMILES CCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)C2)cc1 Show InChI InChI=1S/C22H26N2O2/c1-2-13-25-20-9-7-18(8-10-20)15-23-11-12-24(17-23)16-21-14-19-5-3-4-6-22(19)26-21/h3-10,14H,2,11-13,15-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair