Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50005081   

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 (Homo sapiens (Human))	BDBM50032410 (3-Benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-m...) Show SMILES CC1C2Cc3ccc(O)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14| Show InChI InChI=1S/C21H25NO/c1-15-20-12-17-8-9-18(23)13-19(17)21(15,2)10-11-22(20)14-16-6-4-3-5-7-16/h3-9,13,15,20,23H,10-12,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 1 using [3H]- pentazocine as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50032422 (3-Benzyl-7-chloro-6,11-dimethyl-1,2,3,4,5,6-hexahy...) Show SMILES CC1C2Cc3ccc(O)c(Cl)c3C1(C)CCN2Cc1ccccc1 |TLB:9:11:1:16.14.15,17:16:1:11.4.3| Show InChI InChI=1S/C21H24ClNO/c1-14-17-12-16-8-9-18(24)20(22)19(16)21(14,2)10-11-23(17)13-15-6-4-3-5-7-15/h3-9,14,17,24H,10-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 1 using [3H]- pentazocine as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50032426 (3-Benzyl-7-bromo-6,11-dimethyl-1,2,3,4,5,6-hexahyd...) Show SMILES CC1C2Cc3ccc(O)c(Br)c3C1(C)CCN2Cc1ccccc1 |TLB:9:11:1:16.14.15,17:16:1:11.4.3| Show InChI InChI=1S/C21H24BrNO/c1-14-17-12-16-8-9-18(24)20(22)19(16)21(14,2)10-11-23(17)13-15-6-4-3-5-7-15/h3-9,14,17,24H,10-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 1 using [3H]- pentazocine as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50032425 (7-Bromo-6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2,...) Show SMILES [#6]-[#6]1-[#6]-2-[#6]-c3ccc(-[#8])c(Br)c3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |TLB:9:11:1:16.14.15,17:16:1:11.4.3| Show InChI InChI=1S/C19H26BrNO/c1-12(2)7-9-21-10-8-19(4)13(3)15(21)11-14-5-6-16(22)18(20)17(14)19/h5-7,13,15,22H,8-11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 1 using [3H]- pentazocine as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50032423 (7-Chloro-6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2...) Show SMILES [#6]-[#6]1-[#6]-2-[#6]-c3ccc(-[#8])c(Cl)c3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |TLB:9:11:1:16.14.15,17:16:1:11.4.3| Show InChI InChI=1S/C19H26ClNO/c1-12(2)7-9-21-10-8-19(4)13(3)15(21)11-14-5-6-16(22)18(20)17(14)19/h5-7,13,15,22H,8-11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 1 using [3H]- pentazocine as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50035131 ((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...) Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity of the compound was measured on Sigma receptor type 1 using [3H]- pentazocine as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50032418 (9-Iodo-6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2,3...) Show SMILES [#6]-[#6]1-[#6]-2-[#6]-c3cc(I)c(-[#8])cc3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |TLB:10:11:1:16.14.15,17:16:1:11.4.3| Show InChI InChI=1S/C19H26INO/c1-12(2)5-7-21-8-6-19(4)13(3)17(21)10-14-9-16(20)18(22)11-15(14)19/h5,9,11,13,17,22H,6-8,10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	35.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 1 using [3H]- pentazocine as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50032418 (9-Iodo-6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2,3...) Show SMILES [#6]-[#6]1-[#6]-2-[#6]-c3cc(I)c(-[#8])cc3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |TLB:10:11:1:16.14.15,17:16:1:11.4.3| Show InChI InChI=1S/C19H26INO/c1-12(2)5-7-21-8-6-19(4)13(3)17(21)10-14-9-16(20)18(22)11-15(14)19/h5,9,11,13,17,22H,6-8,10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	35.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 1 using [3H]- pentazocine as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50407300 (CHEMBL397705) Show SMILES [#6]-[#6@@H]1-[#6@H]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:1:10.4.3| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18-,19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 2 using [3H]- DTG as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50032419 (3-Benzyl-9-bromo-6,11-dimethyl-1,2,3,4,5,6-hexahyd...) Show SMILES CC1C2Cc3cc(Br)c(O)cc3C1(C)CCN2Cc1ccccc1 |TLB:10:11:1:16.14.15,17:16:1:11.4.3| Show InChI InChI=1S/C21H24BrNO/c1-14-19-11-16-10-18(22)20(24)12-17(16)21(14,2)8-9-23(19)13-15-6-4-3-5-7-15/h3-7,10,12,14,19,24H,8-9,11,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	68.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 1 using [3H]- pentazocine as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50032420 (3-Benzyl-7,9-dibromo-6,11-dimethyl-1,2,3,4,5,6-hex...) Show SMILES CC1C2Cc3cc(Br)c(O)c(Br)c3C1(C)CCN2Cc1ccccc1 |TLB:10:12:1:17.15.16,18:17:1:12.4.3| Show InChI InChI=1S/C21H23Br2NO/c1-13-17-11-15-10-16(22)20(25)19(23)18(15)21(13,2)8-9-24(17)12-14-6-4-3-5-7-14/h3-7,10,13,17,25H,8-9,11-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	70.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity of the compound was measured on Sigma receptor type 1 using [3H]- pentazocine as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50032421 (3-Benzyl-7,9-dichloro-6,11-dimethyl-1,2,3,4,5,6-he...) Show SMILES CC1C2Cc3cc(Cl)c(O)c(Cl)c3C1(C)CCN2Cc1ccccc1 |TLB:10:12:1:17.15.16,18:17:1:12.4.3| Show InChI InChI=1S/C21H23Cl2NO/c1-13-17-11-15-10-16(22)20(25)19(23)18(15)21(13,2)8-9-24(17)12-14-6-4-3-5-7-14/h3-7,10,13,17,25H,8-9,11-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	71.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 1 using [3H]- pentazocine as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50407300 (CHEMBL397705) Show SMILES [#6]-[#6@@H]1-[#6@H]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:1:10.4.3| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	83.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity of the compound was measured on Sigma receptor type 1 using [3H]- pentazocine as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50032418 (9-Iodo-6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2,3...) Show SMILES [#6]-[#6]1-[#6]-2-[#6]-c3cc(I)c(-[#8])cc3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |TLB:10:11:1:16.14.15,17:16:1:11.4.3| Show InChI InChI=1S/C19H26INO/c1-12(2)5-7-21-8-6-19(4)13(3)17(21)10-14-9-16(20)18(22)11-15(14)19/h5,9,11,13,17,22H,6-8,10H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 2 using [3H]- DTG as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50032418 (9-Iodo-6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2,3...) Show SMILES [#6]-[#6]1-[#6]-2-[#6]-c3cc(I)c(-[#8])cc3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |TLB:10:11:1:16.14.15,17:16:1:11.4.3| Show InChI InChI=1S/C19H26INO/c1-12(2)5-7-21-8-6-19(4)13(3)17(21)10-14-9-16(20)18(22)11-15(14)19/h5,9,11,13,17,22H,6-8,10H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 2 using [3H]- DTG as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50032427 (7,9-Dibromo-6,11-dimethyl-3-(3-methyl-but-2-enyl)-...) Show SMILES [#6]-[#6]1-[#6]-2-[#6]-c3cc(Br)c(-[#8])c(Br)c3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |TLB:10:12:1:17.15.16,18:17:1:12.4.3| Show InChI InChI=1S/C19H25Br2NO/c1-11(2)5-7-22-8-6-19(4)12(3)15(22)10-13-9-14(20)18(23)17(21)16(13)19/h5,9,12,15,23H,6-8,10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 1 using [3H]- pentazocine as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50032428 (9-Bromo-6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2,...) Show SMILES [#6]-[#6]1-[#6]-2-[#6]-c3cc(Br)c(-[#8])cc3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |TLB:10:11:1:16.14.15,17:16:1:11.4.3| Show InChI InChI=1S/C19H26BrNO/c1-12(2)5-7-21-8-6-19(4)13(3)17(21)10-14-9-16(20)18(22)11-15(14)19/h5,9,11,13,17,22H,6-8,10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	144	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 1 using [3H]- pentazocine as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50032428 (9-Bromo-6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2,...) Show SMILES [#6]-[#6]1-[#6]-2-[#6]-c3cc(Br)c(-[#8])cc3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |TLB:10:11:1:16.14.15,17:16:1:11.4.3| Show InChI InChI=1S/C19H26BrNO/c1-12(2)5-7-21-8-6-19(4)13(3)17(21)10-14-9-16(20)18(22)11-15(14)19/h5,9,11,13,17,22H,6-8,10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	144	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 1 using [3H]- pentazocine as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50032427 (7,9-Dibromo-6,11-dimethyl-3-(3-methyl-but-2-enyl)-...) Show SMILES [#6]-[#6]1-[#6]-2-[#6]-c3cc(Br)c(-[#8])c(Br)c3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |TLB:10:12:1:17.15.16,18:17:1:12.4.3| Show InChI InChI=1S/C19H25Br2NO/c1-11(2)5-7-22-8-6-19(4)12(3)15(22)10-13-9-14(20)18(23)17(21)16(13)19/h5,9,12,15,23H,6-8,10H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	211	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 2 using [3H]- DTG as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50032424 (3-Benzyl-9-iodo-6,11-dimethyl-1,2,3,4,5,6-hexahydr...) Show SMILES CC1C2Cc3cc(I)c(O)cc3C1(C)CCN2Cc1ccccc1 |TLB:10:11:1:16.14.15,17:16:1:11.4.3| Show InChI InChI=1S/C21H24INO/c1-14-19-11-16-10-18(22)20(24)12-17(16)21(14,2)8-9-23(19)13-15-6-4-3-5-7-15/h3-7,10,12,14,19,24H,8-9,11,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	231	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 1 using [3H]- pentazocine as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50032425 (7-Bromo-6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2,...) Show SMILES [#6]-[#6]1-[#6]-2-[#6]-c3ccc(-[#8])c(Br)c3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |TLB:9:11:1:16.14.15,17:16:1:11.4.3| Show InChI InChI=1S/C19H26BrNO/c1-12(2)7-9-21-10-8-19(4)13(3)15(21)11-14-5-6-16(22)18(20)17(14)19/h5-7,13,15,22H,8-11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	283	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 2 using [3H]- DTG as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50032426 (3-Benzyl-7-bromo-6,11-dimethyl-1,2,3,4,5,6-hexahyd...) Show SMILES CC1C2Cc3ccc(O)c(Br)c3C1(C)CCN2Cc1ccccc1 |TLB:9:11:1:16.14.15,17:16:1:11.4.3| Show InChI InChI=1S/C21H24BrNO/c1-14-17-12-16-8-9-18(24)20(22)19(16)21(14,2)10-11-23(17)13-15-6-4-3-5-7-15/h3-9,14,17,24H,10-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	346	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 2 using [3H]- DTG as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50032428 (9-Bromo-6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2,...) Show SMILES [#6]-[#6]1-[#6]-2-[#6]-c3cc(Br)c(-[#8])cc3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |TLB:10:11:1:16.14.15,17:16:1:11.4.3| Show InChI InChI=1S/C19H26BrNO/c1-12(2)5-7-21-8-6-19(4)13(3)17(21)10-14-9-16(20)18(22)11-15(14)19/h5,9,11,13,17,22H,6-8,10H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	365	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 2 using [3H]- DTG as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50032428 (9-Bromo-6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2,...) Show SMILES [#6]-[#6]1-[#6]-2-[#6]-c3cc(Br)c(-[#8])cc3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |TLB:10:11:1:16.14.15,17:16:1:11.4.3| Show InChI InChI=1S/C19H26BrNO/c1-12(2)5-7-21-8-6-19(4)13(3)17(21)10-14-9-16(20)18(22)11-15(14)19/h5,9,11,13,17,22H,6-8,10H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	365	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 2 using [3H]- DTG as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50032424 (3-Benzyl-9-iodo-6,11-dimethyl-1,2,3,4,5,6-hexahydr...) Show SMILES CC1C2Cc3cc(I)c(O)cc3C1(C)CCN2Cc1ccccc1 |TLB:10:11:1:16.14.15,17:16:1:11.4.3| Show InChI InChI=1S/C21H24INO/c1-14-19-11-16-10-18(22)20(24)12-17(16)21(14,2)8-9-23(19)13-15-6-4-3-5-7-15/h3-7,10,12,14,19,24H,8-9,11,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	597	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 2 using [3H]- DTG as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50032422 (3-Benzyl-7-chloro-6,11-dimethyl-1,2,3,4,5,6-hexahy...) Show SMILES CC1C2Cc3ccc(O)c(Cl)c3C1(C)CCN2Cc1ccccc1 |TLB:9:11:1:16.14.15,17:16:1:11.4.3| Show InChI InChI=1S/C21H24ClNO/c1-14-17-12-16-8-9-18(24)20(22)19(16)21(14,2)10-11-23(17)13-15-6-4-3-5-7-15/h3-9,14,17,24H,10-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	764	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 2 using [3H]- DTG as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50032419 (3-Benzyl-9-bromo-6,11-dimethyl-1,2,3,4,5,6-hexahyd...) Show SMILES CC1C2Cc3cc(Br)c(O)cc3C1(C)CCN2Cc1ccccc1 |TLB:10:11:1:16.14.15,17:16:1:11.4.3| Show InChI InChI=1S/C21H24BrNO/c1-14-19-11-16-10-18(22)20(24)12-17(16)21(14,2)8-9-23(19)13-15-6-4-3-5-7-15/h3-7,10,12,14,19,24H,8-9,11,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 2 using [3H]- DTG as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50035131 ((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...) Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 2 using [3H]- DTG as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50032410 (3-Benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-m...) Show SMILES CC1C2Cc3ccc(O)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14| Show InChI InChI=1S/C21H25NO/c1-15-20-12-17-8-9-18(23)13-19(17)21(15,2)10-11-22(20)14-16-6-4-3-5-7-16/h3-9,13,15,20,23H,10-12,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.71E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 2 using [3H]- DTG as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50032420 (3-Benzyl-7,9-dibromo-6,11-dimethyl-1,2,3,4,5,6-hex...) Show SMILES CC1C2Cc3cc(Br)c(O)c(Br)c3C1(C)CCN2Cc1ccccc1 |TLB:10:12:1:17.15.16,18:17:1:12.4.3| Show InChI InChI=1S/C21H23Br2NO/c1-13-17-11-15-10-16(22)20(25)19(23)18(15)21(13,2)8-9-24(17)12-14-6-4-3-5-7-14/h3-7,10,13,17,25H,8-9,11-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 2 using [3H]- DTG as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50032421 (3-Benzyl-7,9-dichloro-6,11-dimethyl-1,2,3,4,5,6-he...) Show SMILES CC1C2Cc3cc(Cl)c(O)c(Cl)c3C1(C)CCN2Cc1ccccc1 |TLB:10:12:1:17.15.16,18:17:1:12.4.3| Show InChI InChI=1S/C21H23Cl2NO/c1-13-17-11-15-10-16(22)20(25)19(23)18(15)21(13,2)8-9-24(17)12-14-6-4-3-5-7-14/h3-7,10,13,17,25H,8-9,11-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 2 using [3H]- DTG as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50032423 (7-Chloro-6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2...) Show SMILES [#6]-[#6]1-[#6]-2-[#6]-c3ccc(-[#8])c(Cl)c3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |TLB:9:11:1:16.14.15,17:16:1:11.4.3| Show InChI InChI=1S/C19H26ClNO/c1-12(2)7-9-21-10-8-19(4)13(3)15(21)11-14-5-6-16(22)18(20)17(14)19/h5-7,13,15,22H,8-11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.96E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 2 using [3H]- DTG as radioligand				J Med Chem 38: 2986-9 (1995) BindingDB Entry DOI: 10.7270/Q2XK8DMX
					More data for this Ligand-Target Pair