Compile Data Set for Download or QSAR

Found 133 hits with Last Name = 'van der schyf' and Initial = 'cj'   

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))	BDBM50401370 (CHEMBL2205821) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCCCc1ccccc1 |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:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11| Show InChI InChI=1S/C21H25NO/c23-21-18-13-10-12-14-15(13)19(21)17(14)20(16(12)18)22(21)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,12-20,23H,4-5,8-10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50430259 (CHEMBL2332494) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccc(Br)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/C19H20BrNO/c20-9-3-1-8(2-4-9)5-6-21-18-14-10-7-11-13-12(10)15(18)17(13)19(21,22)16(11)14/h1-4,10-18,22H,5-7H2	PDB UniProtKB/SwissProt 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
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50430257 (CHEMBL2332492) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccc(Cl)c(Cl)c1 |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/C19H19Cl2NO/c20-10-2-1-7(5-11(10)21)3-4-22-18-14-8-6-9-13-12(8)15(18)17(13)19(22,23)16(9)14/h1-2,5,8-9,12-18,23H,3-4,6H2	PDB UniProtKB/SwissProt 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
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50305342 (4-(3'-Fluorophenethyl)-4-azahexacyclo[5.4.1.02,6.0...) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1cccc(F)c1 |TLB:1:11:4.3:9,6:7:4.3:9,THB:2:3:9:7.11,5:4:9:7.11| Show InChI InChI=1S/C19H20FNO/c20-9-3-1-2-8(6-9)4-5-21-18-14-10-7-11-13-12(10)15(18)17(13)19(21,22)16(11)14/h1-3,6,10-18,22H,4-5,7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50288953 (11'N-(3-bromobenzyl)spiro[dihydro[1,3]dioxolane-2,...) Show SMILES Brc1cccc(CNC2C3C4C5C3C3(OCCO3)C3C5CC4C23)c1 |TLB:13:18:11.10:20,8:22:11.10:20,THB:12:11:18.22:20,9:10:18.22:20| Show InChI InChI=1S/C20H22BrNO2/c21-10-3-1-2-9(6-10)8-22-19-15-11-7-12-14-13(11)16(19)18(14)20(17(12)15)23-4-5-24-20/h1-3,6,11-19,22H,4-5,7-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50401377 (CHEMBL2205835) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccccc1 |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:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11| Show InChI InChI=1S/C19H21NO/c21-19-16-11-8-10-12-13(11)17(19)15(12)18(14(10)16)20(19)7-6-9-4-2-1-3-5-9/h1-5,10-18,21H,6-8H2	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
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50430258 (CHEMBL2332493) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1cccc(Cl)c1 |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/C19H20ClNO/c20-9-3-1-2-8(6-9)4-5-21-18-14-10-7-11-13-12(10)15(18)17(13)19(21,22)16(11)14/h1-3,6,10-18,22H,4-5,7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50401372 (CHEMBL2205819) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCCc1ccccc1 |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:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11| Show InChI InChI=1S/C20H23NO/c22-20-17-12-9-11-13-14(12)18(20)16(13)19(15(11)17)21(20)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11-19,22H,4,7-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50288955 (11'N-benzylspiro[dihydro[1,3]dioxolane-2,8'-pentac...) Show SMILES C(NC1C2C3C4C2C2(OCCO2)C2C4CC3C12)c1ccccc1 |TLB:7:12:5.4:14,2:16:5.4:14,THB:6:5:12.16:14,3:4:12.16:14| Show InChI InChI=1S/C20H23NO2/c1-2-4-10(5-3-1)9-21-19-15-11-8-12-14-13(11)16(19)18(14)20(17(12)15)22-6-7-23-20/h1-5,11-19,21H,6-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	67.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50288949 (11'N-(4-iodomobenzyl)spiro[dihydro[1,3]dioxolane-2...) Show SMILES Ic1ccc(CNC2C3C4C5C3C3(OCCO3)C3C5CC4C23)cc1 |TLB:12:17:10.9:19,7:21:10.9:19,THB:11:10:17.21:19,8:9:17.21:19| Show InChI InChI=1S/C20H22INO2/c21-10-3-1-9(2-4-10)8-22-19-15-11-7-12-14-13(11)16(19)18(14)20(17(12)15)23-5-6-24-20/h1-4,11-19,22H,5-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50430268 (CHEMBL2332502) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc(I)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/C18H18INO/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	81.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50430269 (CHEMBL2332504) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc(Br)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/C18H18BrNO/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	85.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50430261 (CHEMBL2332496) Show SMILES Cc1cccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)c1 |TLB:8:19:10.11:17,13:15:10.11:17,THB:18:19:9.12:7,9:10:19.15:17,10:9:19.15:7,12:11:19.15:17,16:15:9.12:7,11:12:19.15:7| Show InChI InChI=1S/C19H21NO/c1-8-3-2-4-9(5-8)7-20-18-14-10-6-11-13-12(10)15(18)17(13)19(20,21)16(11)14/h2-5,10-18,21H,6-7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	97.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50288954 (11-benzyl-11-azahexacyclo[5.4.1.02,6.03,10.04,8.09...) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccc1 |TLB:3:2:12:11.7,4:5:12:11.7,10:11:12:2.5,8:7:12:2.5,THB:13:12:11.7:2.5| Show InChI InChI=1S/C18H19NO/c20-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)19(18)7-8-4-2-1-3-5-8/h1-5,9-17,20H,6-7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50401382 (CHEMBL2205825) Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |TLB:8:19:10.11:17,13:15:10.11:17,THB:9:10:19.15:17,18:19:9.12:7,10:9:19.15:7,12:11:19.15:17,16:15:9.12:7,11:12:19.15:7,6:7:9.12:19.15| Show InChI InChI=1S/C19H21NO2/c1-22-9-4-2-8(3-5-9)7-20-18-14-10-6-11-13-12(10)15(18)17(13)19(20,21)16(11)14/h2-5,10-18,21H,6-7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					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	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50288950 (11'N-(3-iodobenzyl)spiro[dihydro[1,3]dioxolane-2,8...) Show SMILES Ic1cccc(CNC2C3C4C5C3C3(OCCO3)C3C5CC4C23)c1 |TLB:13:18:11.10:20,8:22:11.10:20,THB:12:11:18.22:20,9:10:18.22:20| Show InChI InChI=1S/C20H22INO2/c21-10-3-1-2-9(6-10)8-22-19-15-11-7-12-14-13(11)16(19)18(14)20(17(12)15)23-4-5-24-20/h1-3,6,11-19,22H,4-5,7-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50305343 (4-(3'-Fluorophenyl)methyl-4-azahexacyclo[5.4.1.02,...) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1cccc(F)c1 |TLB:1:11:4.3:9,6:7:4.3:9,THB:2:3:9:7.11,5:4:9:7.11| Show InChI InChI=1S/C18H18FNO/c19-8-3-1-2-7(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	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50430267 (CHEMBL2332503) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1cccc(I)c1 |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/C18H18INO/c19-8-3-1-2-7(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	169	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50430265 (CHEMBL2332499) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccc1F |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/c19-10-4-2-1-3-7(10)6-20-17-13-8-5-9-12-11(8)14(17)16(12)18(20,21)15(9)13/h1-4,8-9,11-17,21H,5-6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	181	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50430260 (CHEMBL2332495) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1cccc(Cl)c1 |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/C18H18ClNO/c19-8-3-1-2-7(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	186	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50430264 (CHEMBL2332500) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc(F)c(F)c1 |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/C18H17F2NO/c19-9-2-1-6(3-10(9)20)5-21-17-13-7-4-8-12-11(7)14(17)16(12)18(21,22)15(8)13/h1-3,7-8,11-17,22H,4-5H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	199	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50288952 (11-(3-bromobenzyl)-11-azahexacyclo[5.4.1.02,6.03,1...) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1cccc(Br)c1 |TLB:3:2:12:11.7,4:5:12:11.7,10:11:12:2.5,8:7:12:2.5| Show InChI InChI=1S/C18H18BrNO/c19-8-3-1-2-7(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	208	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50430263 (CHEMBL2332497) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1cccc(c1)C(F)(F)F |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/C19H18F3NO/c20-19(21,22)8-3-1-2-7(4-8)6-23-17-13-9-5-10-12-11(9)14(17)16(12)18(23,24)15(10)13/h1-4,9-17,24H,5-6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	269	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50430262 (CHEMBL2332498) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1cccc(c1)[N+]([O-])=O |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/C18H18N2O3/c21-18-15-10-5-9-11-12(10)16(18)14(11)17(13(9)15)19(18)6-7-2-1-3-8(4-7)20(22)23/h1-4,9-17,21H,5-6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50143301 ((2-Hydroxy-ethyl)-dimethyl-octyl-ammonium | CHEMBL...) Show SMILES CCCCCCCC[N+](C)(C)CCO Show InChI InChI=1S/C12H28NO/c1-4-5-6-7-8-9-10-13(2,3)11-12-14/h14H,4-12H2,1-3H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of [3H]choline brain uptake through choline transporter was determined in situ brain perfusion studies in Male Fischer-344 rats				Bioorg Med Chem Lett 14: 3085-92 (2004) Article DOI: 10.1016/j.bmcl.2004.04.020 BindingDB Entry DOI: 10.7270/Q2BG2PJR
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50143312 (CHEMBL53882 | Hexyl-(2-hydroxy-ethyl)-dimethyl-amm...) Show SMILES CCCCCC[N+](C)(C)CCO Show InChI InChI=1S/C10H24NO/c1-4-5-6-7-8-11(2,3)9-10-12/h12H,4-10H2,1-3H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats				Bioorg Med Chem Lett 14: 3085-92 (2004) Article DOI: 10.1016/j.bmcl.2004.04.020 BindingDB Entry DOI: 10.7270/Q2BG2PJR
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50060526 (2-Dimethylamino-ethanol | 2-hydroxy-N,N-dimethylet...) Show SMILES CN(C)CCO Show InChI InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of [3H]choline brain uptake through choline transporter was determined in situ brain perfusion studies in Male Fischer-344 rats				Bioorg Med Chem Lett 14: 3085-92 (2004) Article DOI: 10.1016/j.bmcl.2004.04.020 BindingDB Entry DOI: 10.7270/Q2BG2PJR
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50147117 (1-Octyl-piperidine | CHEMBL105218) Show SMILES CCCCCCCCN1CCCCC1 Show InChI InChI=1S/C13H27N/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h2-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats				Bioorg Med Chem Lett 14: 3085-92 (2004) Article DOI: 10.1016/j.bmcl.2004.04.020 BindingDB Entry DOI: 10.7270/Q2BG2PJR
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50147114 (Butyl-(2-hydroxy-ethyl)-dimethyl-ammonium | CHEMBL...) Show SMILES CCCC[N+](C)(C)CCO Show InChI InChI=1S/C8H20NO/c1-4-5-6-9(2,3)7-8-10/h10H,4-8H2,1-3H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats				Bioorg Med Chem Lett 14: 3085-92 (2004) Article DOI: 10.1016/j.bmcl.2004.04.020 BindingDB Entry DOI: 10.7270/Q2BG2PJR
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50026220 (2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...) Show SMILES C[N+](C)(C)CCO Show InChI InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats				Bioorg Med Chem Lett 14: 3085-92 (2004) Article DOI: 10.1016/j.bmcl.2004.04.020 BindingDB Entry DOI: 10.7270/Q2BG2PJR
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50147104 (3-(1-Methyl-pyrrolidin-2-yl)-1-octyl-piperidine | ...) Show SMILES CCCCCCCCN1CCCC(C1)C1CCCN1C Show InChI InChI=1S/C18H36N2/c1-3-4-5-6-7-8-14-20-15-9-11-17(16-20)18-12-10-13-19(18)2/h17-18H,3-16H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats				Bioorg Med Chem Lett 14: 3085-92 (2004) Article DOI: 10.1016/j.bmcl.2004.04.020 BindingDB Entry DOI: 10.7270/Q2BG2PJR
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50147116 (CHEMBL105536 | Ethyl-(2-hydroxy-ethyl)-dimethyl-am...) Show SMILES CC[N+](C)(C)CCO Show InChI InChI=1S/C6H16NO/c1-4-7(2,3)5-6-8/h8H,4-6H2,1-3H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats				Bioorg Med Chem Lett 14: 3085-92 (2004) Article DOI: 10.1016/j.bmcl.2004.04.020 BindingDB Entry DOI: 10.7270/Q2BG2PJR
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50147122 (2-(Dimethyl-lambda*4*-sulfanyl)-ethanol | CHEMBL54...) Show SMILES C[S+](C)CCO Show InChI InChI=1S/C4H11OS/c1-6(2)4-3-5/h5H,3-4H2,1-2H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.17E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats				Bioorg Med Chem Lett 14: 3085-92 (2004) Article DOI: 10.1016/j.bmcl.2004.04.020 BindingDB Entry DOI: 10.7270/Q2BG2PJR
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50147120 (2-Methylamino-ethanol | 2-hydroxy-N-methylethanami...) Show SMILES CNCCO Show InChI InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.27E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats				Bioorg Med Chem Lett 14: 3085-92 (2004) Article DOI: 10.1016/j.bmcl.2004.04.020 BindingDB Entry DOI: 10.7270/Q2BG2PJR
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50147119 ((3-Hydroxy-propyl)-trimethyl-ammonium | CHEMBL1209...) Show SMILES C[N+](C)(C)CCCO Show InChI InChI=1S/C6H16NO/c1-7(2,3)5-4-6-8/h8H,4-6H2,1-3H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.62E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats				Bioorg Med Chem Lett 14: 3085-92 (2004) Article DOI: 10.1016/j.bmcl.2004.04.020 BindingDB Entry DOI: 10.7270/Q2BG2PJR
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50147103 ((2-Hydroxy-ethyl)-dimethyl-propyl-ammonium | CHEMB...) Show SMILES CCC[N+](C)(C)CCO Show InChI InChI=1S/C7H18NO/c1-4-5-8(2,3)6-7-9/h9H,4-7H2,1-3H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats				Bioorg Med Chem Lett 14: 3085-92 (2004) Article DOI: 10.1016/j.bmcl.2004.04.020 BindingDB Entry DOI: 10.7270/Q2BG2PJR
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50047005 (1-Aza-bicyclo[2.2.2]octan-3-ol | 1-Aza-bicyclo[2.2...) Show SMILES OC1CN2CCC1CC2 |THB:0:1:7.8:5.4,(6.92,.2,;7.84,-.7,;6.97,-1.64,;7.02,-3.14,;8.8,-4.11,;9.62,-2.84,;7.9,-1.89,;6.04,-2.81,;5.27,-4.16,)| Show InChI InChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats				Bioorg Med Chem Lett 14: 3085-92 (2004) Article DOI: 10.1016/j.bmcl.2004.04.020 BindingDB Entry DOI: 10.7270/Q2BG2PJR
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50147112 (2-hydroxy-N,N,N-trimethylpropanaminium | 2-methylc...) Show SMILES CC(O)C[N+](C)(C)C Show InChI InChI=1S/C6H16NO/c1-6(8)5-7(2,3)4/h6,8H,5H2,1-4H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats				Bioorg Med Chem Lett 14: 3085-92 (2004) Article DOI: 10.1016/j.bmcl.2004.04.020 BindingDB Entry DOI: 10.7270/Q2BG2PJR
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50147108 (2-Hydroxy-4,4-dimethyl-2-phenyl-morpholin-4-ium | ...) Show SMILES C[N+]1(C)CCOC(O)(C1)c1ccccc1 Show InChI InChI=1S/C12H18NO2/c1-13(2)8-9-15-12(14,10-13)11-6-4-3-5-7-11/h3-7,14H,8-10H2,1-2H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.84E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats				Bioorg Med Chem Lett 14: 3085-92 (2004) Article DOI: 10.1016/j.bmcl.2004.04.020 BindingDB Entry DOI: 10.7270/Q2BG2PJR
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50147124 (1-(4-Phenethyl-cyclohex-1-enyl)-ethanone | CHEMBL1...) Show SMILES CC(=O)C1=CCC(CCc2ccccc2)CC1 |t:3| Show InChI InChI=1S/C16H20O/c1-13(17)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.95E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats				Bioorg Med Chem Lett 14: 3085-92 (2004) Article DOI: 10.1016/j.bmcl.2004.04.020 BindingDB Entry DOI: 10.7270/Q2BG2PJR
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50147118 ((2-Hydroxy-cyclohexyl)-trimethyl-ammonium | CHEMBL...) Show SMILES C[N+](C)(C)[C@@H]1CCCC[C@@H]1O Show InChI InChI=1S/C9H20NO/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3/q+1/t8-,9+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.74E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats				Bioorg Med Chem Lett 14: 3085-92 (2004) Article DOI: 10.1016/j.bmcl.2004.04.020 BindingDB Entry DOI: 10.7270/Q2BG2PJR
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50147100 ((4-Fluoro-phenyl)-(2-hydroxy-ethyl)-dimethyl-ammon...) Show SMILES C[N+](C)(CCO)c1ccc(F)cc1 Show InChI InChI=1S/C10H15FNO/c1-12(2,7-8-13)10-5-3-9(11)4-6-10/h3-6,13H,7-8H2,1-2H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.37E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats				Bioorg Med Chem Lett 14: 3085-92 (2004) Article DOI: 10.1016/j.bmcl.2004.04.020 BindingDB Entry DOI: 10.7270/Q2BG2PJR
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM7973 (2-aminoethan-1-ol | CHEMBL104943 | ethanolamine) Show SMILES NCCO Show InChI InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	9.03E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats				Bioorg Med Chem Lett 14: 3085-92 (2004) Article DOI: 10.1016/j.bmcl.2004.04.020 BindingDB Entry DOI: 10.7270/Q2BG2PJR
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50366913 (CHEMBL555023) Show SMILES CC[N+](CC)(CC)CCO Show InChI InChI=1S/C8H20NO/c1-4-9(5-2,6-3)7-8-10/h10H,4-8H2,1-3H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.90E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats				Bioorg Med Chem Lett 14: 3085-92 (2004) Article DOI: 10.1016/j.bmcl.2004.04.020 BindingDB Entry DOI: 10.7270/Q2BG2PJR
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50147110 (CHEMBL104897 | Ethyl-trimethyl-ammonium) Show SMILES CC[N+](C)(C)C Show InChI InChI=1S/C5H14N/c1-5-6(2,3)4/h5H2,1-4H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	4.70E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats				Bioorg Med Chem Lett 14: 3085-92 (2004) Article DOI: 10.1016/j.bmcl.2004.04.020 BindingDB Entry DOI: 10.7270/Q2BG2PJR
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50147123 (((1R,2S)-2-Hydroxy-cyclohexyl)-trimethyl-ammonium ...) Show SMILES C[N+](C)(C)C1CCCCC1O Show InChI InChI=1S/C9H20NO/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.37E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats				Bioorg Med Chem Lett 14: 3085-92 (2004) Article DOI: 10.1016/j.bmcl.2004.04.020 BindingDB Entry DOI: 10.7270/Q2BG2PJR
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50147111 ((2-Hydroxy-ethyl)-dimethyl-phenyl-ammonium | CHEMB...) Show SMILES C[N+](C)(CCO)c1ccccc1 Show InChI InChI=1S/C10H16NO/c1-11(2,8-9-12)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats				Bioorg Med Chem Lett 14: 3085-92 (2004) Article DOI: 10.1016/j.bmcl.2004.04.020 BindingDB Entry DOI: 10.7270/Q2BG2PJR
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50147109 (1-Methyl-3-(1-methyl-pyrrolidin-2-yl)-piperidine |...) Show SMILES CN1CCCC1C1CCCN(C)C1 Show InChI InChI=1S/C11H22N2/c1-12-7-3-5-10(9-12)11-6-4-8-13(11)2/h10-11H,3-9H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats				Bioorg Med Chem Lett 14: 3085-92 (2004) Article DOI: 10.1016/j.bmcl.2004.04.020 BindingDB Entry DOI: 10.7270/Q2BG2PJR
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50147105 ((4-Hydroxy-butyl)-trimethyl-ammonium | CHEMBL10228...) Show SMILES C[N+](C)(C)CCCCO Show InChI InChI=1S/C7H18NO/c1-8(2,3)6-4-5-7-9/h9H,4-7H2,1-3H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats				Bioorg Med Chem Lett 14: 3085-92 (2004) Article DOI: 10.1016/j.bmcl.2004.04.020 BindingDB Entry DOI: 10.7270/Q2BG2PJR
					More data for this Ligand-Target Pair

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