Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50044150   

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))	BDBM50299708 (1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronap...) Show SMILES COc1cccc2C(CCCC3CCN(CC3)C3CCCCC3)CCCc12 Show InChI InChI=1S/C25H39NO/c1-27-25-15-7-13-23-21(10-6-14-24(23)25)9-5-8-20-16-18-26(19-17-20)22-11-3-2-4-12-22/h7,13,15,20-22H,2-6,8-12,14,16-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	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]-pentazocine from sigma-1 opioid receptor in guinea pig brain				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50035114 (1'-[4-(1-methylsulfonyl-1H-3-indolyl)butyl]spiro[1...) Show SMILES CS(=O)(=O)n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12 Show InChI InChI=1S/C25H30N2O3S/c1-31(28,29)27-18-20(22-10-3-5-12-24(22)27)8-6-7-15-26-16-13-25(14-17-26)23-11-4-2-9-21(23)19-30-25/h2-5,9-12,18H,6-8,13-17,19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	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 Binding affinity to sigma-1 opioid receptor (unknown origin)				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50137626 (5-Bromo-N-{4-[4-(2,3-dichloro-phenyl)-piperazin-1-...) Show SMILES COc1cc(Br)cc(C(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1OC Show InChI InChI=1S/C23H28BrCl2N3O3/c1-31-20-15-16(24)14-17(22(20)32-2)23(30)27-8-3-4-9-28-10-12-29(13-11-28)19-7-5-6-18(25)21(19)26/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	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 Binding affinity to dopamine D3 receptor (unknown origin) by radioligand binding assay				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50006606 (CHEMBL3235106) Show SMILES O=S(=O)(c1ccccc1)n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12 Show InChI InChI=1S/C30H32N2O3S/c33-36(34,26-12-2-1-3-13-26)32-22-24(27-14-5-7-16-29(27)32)10-8-9-19-31-20-17-30(18-21-31)28-15-6-4-11-25(28)23-35-30/h1-7,11-16,22H,8-10,17-21,23H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 Binding affinity to sigma-1 opioid receptor (unknown origin)				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50006609 (CHEMBL3235467) Show SMILES [H][C@@]12C[C@@](CCN1C)(CC(=O)\C2=C\c1cccc(O)c1)c1cccc(O)c1 |r| Show InChI InChI=1S/C22H23NO3/c1-23-9-8-22(16-5-3-7-18(25)12-16)13-20(23)19(21(26)14-22)11-15-4-2-6-17(24)10-15/h2-7,10-12,20,24-25H,8-9,13-14H2,1H3/b19-11+/t20?,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Binding affinity to sigma-1 opioid receptor (unknown origin)				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50035105 (1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...) Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12 Show InChI InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	17	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 sigma-1 opioid receptor (unknown origin)				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50336571 ((+)-(R)-N-[(5-Methoxy-1,2,3,4-tetrahydronaphthalen...) Show SMILES COc1cccc2[C@@H](CCCc12)NC(=O)CN1CCN(CC1)C1CCCCC1 |r| Show InChI InChI=1S/C23H35N3O2/c1-28-22-12-6-9-19-20(22)10-5-11-21(19)24-23(27)17-25-13-15-26(16-14-25)18-7-3-2-4-8-18/h6,9,12,18,21H,2-5,7-8,10-11,13-17H2,1H3,(H,24,27)/t21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	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 opioid receptor in guinea pig brain				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50006607 (CHEMBL3235465 | US9604926, Compound SN-79 | US9724...) Show SMILES CC(=O)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)c(=O)oc2c1 Show InChI InChI=1S/C23H26FN3O3/c1-17(28)18-4-9-21-22(16-18)30-23(29)27(21)11-3-2-10-25-12-14-26(15-13-25)20-7-5-19(24)6-8-20/h4-9,16H,2-3,10-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	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 opioid receptor in rat brain				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50407213 (CHEMBL2111685) Show SMILES CN1CC[C@@]2(C[C@H]1C(=Cc1ccc(Cl)c(Cl)c1)C(=O)C2)c1cccc(O)c1 |r,w:8.9| Show InChI InChI=1S/C22H21Cl2NO2/c1-25-8-7-22(15-3-2-4-16(26)11-15)12-20(25)17(21(27)13-22)9-14-5-6-18(23)19(24)10-14/h2-6,9-11,20,26H,7-8,12-13H2,1H3/t20-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	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 sigma-1 opioid receptor (unknown origin)				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50137626 (5-Bromo-N-{4-[4-(2,3-dichloro-phenyl)-piperazin-1-...) Show SMILES COc1cc(Br)cc(C(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1OC Show InChI InChI=1S/C23H28BrCl2N3O3/c1-31-20-15-16(24)14-17(22(20)32-2)23(30)27-8-3-4-9-28-10-12-29(13-11-28)19-7-5-6-18(25)21(19)26/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	59	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 dopamine D2 receptor (unknown origin) by radioligand binding assay				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50336572 ((-)-(S)-N-[(5-Methoxy-1,2,3,4-tetrahydronaphthalen...) Show SMILES COc1cccc2[C@H](CCCc12)NC(=O)CN1CCN(CC1)C1CCCCC1 |r| Show InChI InChI=1S/C23H35N3O2/c1-28-22-12-6-9-19-20(22)10-5-11-21(19)24-23(27)17-25-13-15-26(16-14-25)18-7-3-2-4-8-18/h6,9,12,18,21H,2-5,7-8,10-11,13-17H2,1H3,(H,24,27)/t21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95	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 opioid receptor in guinea pig brain				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50299706 (4-Cyclohexyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronap...) Show SMILES COc1cccc2C(CCCN3CCC(CC3)C3CCCCC3)CCCc12 Show InChI InChI=1S/C25H39NO/c1-27-25-14-6-12-23-22(10-5-13-24(23)25)11-7-17-26-18-15-21(16-19-26)20-8-3-2-4-9-20/h6,12,14,20-22H,2-5,7-11,13,15-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	143	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 opioid receptor in guinea pig brain				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50430266 (CHEMBL2332501) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc(F)cc1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9| Show InChI InChI=1S/C18H18FNO/c19-8-3-1-7(2-4-8)6-20-17-13-9-5-10-12-11(9)14(17)16(12)18(20,21)15(10)13/h1-4,9-17,21H,5-6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	152	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 guinea pig brain membrane sigma-1 opioid receptor by radioligand displacement assay				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50137618 (5-Bromo-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...) Show SMILES COc1cc2CCN(CCCCNC(=O)c3cc(Br)cc(OC)c3OC)Cc2cc1OC Show InChI InChI=1S/C24H31BrN2O5/c1-29-20-11-16-7-10-27(15-17(16)12-21(20)30-2)9-6-5-8-26-24(28)19-13-18(25)14-22(31-3)23(19)32-4/h11-14H,5-10,15H2,1-4H3,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	627	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 dopamine D3 receptor (unknown origin) by radioligand binding assay				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50137626 (5-Bromo-N-{4-[4-(2,3-dichloro-phenyl)-piperazin-1-...) Show SMILES COc1cc(Br)cc(C(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1OC Show InChI InChI=1S/C23H28BrCl2N3O3/c1-31-20-15-16(24)14-17(22(20)32-2)23(30)27-8-3-4-9-28-10-12-29(13-11-28)19-7-5-6-18(25)21(19)26/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	800	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 dopamine D4 receptor (unknown origin) by radioligand binding assay				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50137626 (5-Bromo-N-{4-[4-(2,3-dichloro-phenyl)-piperazin-1-...) Show SMILES COc1cc(Br)cc(C(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1OC Show InChI InChI=1S/C23H28BrCl2N3O3/c1-31-20-15-16(24)14-17(22(20)32-2)23(30)27-8-3-4-9-28-10-12-29(13-11-28)19-7-5-6-18(25)21(19)26/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	809	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 sigma-1 opioid receptor (unknown origin)				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50006611 (CHEMBL45951) Show SMILES CCC(Oc1ccc(Cl)cc1)C(=O)OC1CC2CCC(C1)N2C |TLB:13:14:21:17.18| Show InChI InChI=1S/C18H24ClNO3/c1-3-17(22-15-8-4-12(19)5-9-15)18(21)23-16-10-13-6-7-14(11-16)20(13)2/h4-5,8-9,13-14,16-17H,3,6-7,10-11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	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 sigma-1 opioid receptor (unknown origin)				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50035098 (1-(4-Fluoro-phenyl)-3-{4-[3-(4-fluoro-phenyl)-8-az...) Show SMILES Fc1ccc(cc1)C1=CC2CCC(C1)N2CCCCc1cn(-c2ccc(F)cc2)c2ccccc12 |t:8| Show InChI InChI=1S/C31H30F2N2/c32-25-10-8-22(9-11-25)24-19-28-16-17-29(20-24)34(28)18-4-3-5-23-21-35(27-14-12-26(33)13-15-27)31-7-2-1-6-30(23)31/h1-2,6-15,19,21,28-29H,3-5,16-18,20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.20E+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 sigma-1 opioid receptor (unknown origin)				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	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 antibodypedia 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 Binding affinity to sigma-1 opioid receptor (unknown origin)				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM82353 (1-{3-[4-(substitutedphenyl)piperazin1-yl]propyl}-1...) Show SMILES Fc1ccccc1N1CCN(CCCn2ccc3ccccc23)CC1 Show InChI InChI=1S/C21H24FN3/c22-19-7-2-4-9-21(19)25-16-14-23(15-17-25)11-5-12-24-13-10-18-6-1-3-8-20(18)24/h1-4,6-10,13H,5,11-12,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.49E+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 sigma-1 opioid receptor (unknown origin)				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50137618 (5-Bromo-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...) Show SMILES COc1cc2CCN(CCCCNC(=O)c3cc(Br)cc(OC)c3OC)Cc2cc1OC Show InChI InChI=1S/C24H31BrN2O5/c1-29-20-11-16-7-10-27(15-17(16)12-21(20)30-2)9-6-5-8-26-24(28)19-13-18(25)14-22(31-3)23(19)32-4/h11-14H,5-10,15H2,1-4H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.20E+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 dopamine D2 receptor (unknown origin) by radioligand binding assay				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50137615 (5-Bromo-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...) Show SMILES COc1cc2CCN(CCNC(=O)c3cc(Br)cc(OC)c3OC)Cc2cc1OC Show InChI InChI=1S/C22H27BrN2O5/c1-27-18-9-14-5-7-25(13-15(14)10-19(18)28-2)8-6-24-22(26)17-11-16(23)12-20(29-3)21(17)30-4/h9-12H,5-8,13H2,1-4H3,(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.93E+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 sigma-1 opioid receptor (unknown origin)				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50006608 (CHEMBL3235466) Show SMILES [H][C@]12C[C@](CCN1C)(CC(=O)\C2=C\c1cccc(O)c1)c1cccc(O)c1 |r| Show InChI InChI=1S/C22H23NO3/c1-23-9-8-22(16-5-3-7-18(25)12-16)13-20(23)19(21(26)14-22)11-15-4-2-6-17(24)10-15/h2-7,10-12,20,24-25H,8-9,13-14H2,1H3/b19-11+/t20?,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.06E+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 sigma-1 opioid receptor (unknown origin)				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50137628 (CHEMBL1830682 | CHEMBL60048 | N-(4-(6,7-dimethoxy-...) Show SMILES COc1ccc(C)cc1C(=O)NCCCCN1CCc2cc(OC)c(OC)cc2C1 Show InChI InChI=1S/C24H32N2O4/c1-17-7-8-21(28-2)20(13-17)24(27)25-10-5-6-11-26-12-9-18-14-22(29-3)23(30-4)15-19(18)16-26/h7-8,13-15H,5-6,9-12,16H2,1-4H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 Binding affinity to sigma-1 opioid receptor (unknown origin)				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50137624 (5-Bromo-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...) Show SMILES COc1cc2CCN(CCNC(=O)c3cc(Br)ccc3OC)Cc2cc1OC Show InChI InChI=1S/C21H25BrN2O4/c1-26-18-5-4-16(22)12-17(18)21(25)23-7-9-24-8-6-14-10-19(27-2)20(28-3)11-15(14)13-24/h4-5,10-12H,6-9,13H2,1-3H3,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.48E+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 sigma-1 opioid receptor (unknown origin)				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					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 Binding affinity to guinea pig hippocampus sigma-1 opioid receptor				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50006610 (CHEMBL3235468) Show SMILES [H][C@]12C[C@](CCN1C)(CC(=O)\C2=C\c1ccc(Cl)c(Cl)c1)c1cccc(O)c1 |r| Show InChI InChI=1S/C22H21Cl2NO2/c1-25-8-7-22(15-3-2-4-16(26)11-15)12-20(25)17(21(27)13-22)9-14-5-6-18(23)19(24)10-14/h2-6,9-11,20,26H,7-8,12-13H2,1H3/b17-9+/t20?,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.44E+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 Binding affinity to sigma-1 opioid receptor (unknown origin)				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50206577 (10-methoxyibogamine | CHEMBL222287 | IBOGAINE) Show SMILES CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2ccc(OC)cc12 |r,TLB:22:12:7:5.4.9,14:13:7:5.4.9,THB:10:8:5.6:2.3,1:2:5.6:8.9,13:6:2.3:8.9| Show InChI InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	8.55E+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 sigma-1 opioid receptor (unknown origin)				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50384292 (CHEMBL2030624) Show SMILES COc1ccc(CN2C3CCC2CC3)cc1OC Show InChI InChI=1S/C15H21NO2/c1-17-14-8-3-11(9-15(14)18-2)10-16-12-4-5-13(16)7-6-12/h3,8-9,12-13H,4-7,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+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 Binding affinity to sigma-1 opioid receptor (unknown origin)				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50359587 (CHEMBL1927694) Show SMILES COc1ccc(C(=O)NCCCCN2CCc3ccc(cc3C2)[N+]([O-])=O)c(OC)c1OC Show InChI InChI=1S/C23H29N3O6/c1-30-20-9-8-19(21(31-2)22(20)32-3)23(27)24-11-4-5-12-25-13-10-16-6-7-18(26(28)29)14-17(16)15-25/h6-9,14H,4-5,10-13,15H2,1-3H3,(H,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.03E+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 Binding affinity to sigma-1 opioid receptor (unknown origin)				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50137617 (CHEMBL64260 | N-[2-(6,7-Dimethoxy-3,4-dihydro-1H-i...) Show SMILES COc1cc2CCN(CCNC(=O)c3cc(C)ccc3OC)Cc2cc1OC Show InChI InChI=1S/C22H28N2O4/c1-15-5-6-19(26-2)18(11-15)22(25)23-8-10-24-9-7-16-12-20(27-3)21(28-4)13-17(16)14-24/h5-6,11-13H,7-10,14H2,1-4H3,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.04E+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 Binding affinity to sigma-1 opioid receptor (unknown origin)				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50137618 (5-Bromo-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...) Show SMILES COc1cc2CCN(CCCCNC(=O)c3cc(Br)cc(OC)c3OC)Cc2cc1OC Show InChI InChI=1S/C24H31BrN2O5/c1-29-20-11-16-7-10-27(15-17(16)12-21(20)30-2)9-6-5-8-26-24(28)19-13-18(25)14-22(31-3)23(19)32-4/h11-14H,5-10,15H2,1-4H3,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.29E+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 Binding affinity to sigma-1 opioid receptor (unknown origin)				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM8903 ((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...) Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20| Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	239	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 opioid receptor in rat liver membranes after 1 hr by liquid scintillation spectrometric analysis				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair