Compile Data Set for Download or QSAR

Found 1323 hits with Last Name = 'ma' and Initial = 'mg'   

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 (RAT)	BDBM50170654 ((+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)...) Show SMILES CC(CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	0.0110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma 1 opioid receptor in rat liver homogenate by liquid scintillation counting				ACS Med Chem Lett 2: 834-839 (2011) Article DOI: 10.1021/ml2001505 BindingDB Entry DOI: 10.7270/Q2RR208C
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50248926 (3-((1-(4-chlorobenzyl)piperidin-4-yl)methyl)benzo[...) Show SMILES Clc1ccc(CN2CCC(Cn3c4ccccc4oc3=O)CC2)cc1 Show InChI InChI=1S/C20H21ClN2O2/c21-17-7-5-15(6-8-17)13-22-11-9-16(10-12-22)14-23-18-3-1-2-4-19(18)25-20(23)24/h1-8,16H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50248926 (3-((1-(4-chlorobenzyl)piperidin-4-yl)methyl)benzo[...) Show SMILES Clc1ccc(CN2CCC(Cn3c4ccccc4oc3=O)CC2)cc1 Show InChI InChI=1S/C20H21ClN2O2/c21-17-7-5-15(6-8-17)13-22-11-9-16(10-12-22)14-23-18-3-1-2-4-19(18)25-20(23)24/h1-8,16H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma 1 opioid receptor in rat liver homogenate by liquid scintillation counting				ACS Med Chem Lett 2: 834-839 (2011) Article DOI: 10.1021/ml2001505 BindingDB Entry DOI: 10.7270/Q2RR208C
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM50277545 (4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[...) Show SMILES COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O |c:11| Show InChI InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. , 40 Landsdowne Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Competitive inhibition of recombinant mouse aurora kinase A expressed in insect Sf9 cells in presence of ATP				ACS Med Chem Lett 6: 630-4 (2015) Article DOI: 10.1021/ml500409n BindingDB Entry DOI: 10.7270/Q2WS8W1V
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183549 ((S)-(+)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...) Show SMILES O[C@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C29H33F2NO2/c30-26-10-6-24(7-11-26)29(25-8-12-27(31)13-9-25)34-19-16-22-14-17-32(18-15-22)21-28(33)20-23-4-2-1-3-5-23/h1-13,22,28-29,33H,14-21H2/t28-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183539 (CHEMBL381256 | CHEMBL429492 | trans-(R,R)-4-[2-[bi...) Show SMILES Fc1ccc(cc1)C(OCCC1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C30H33F2NO/c31-27-10-6-24(7-11-27)30(25-8-12-28(32)13-9-25)34-19-16-22-14-17-33(18-15-22)21-26-20-29(26)23-4-2-1-3-5-23/h1-13,22,26,29-30H,14-21H2/t26-,29-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183535 ((R)-(+)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...) Show SMILES O[C@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C29H33F2NO2/c30-26-10-6-24(7-11-26)29(25-8-12-27(31)13-9-25)34-21-17-22-14-18-32(19-15-22)20-16-28(33)23-4-2-1-3-5-23/h1-13,22,28-29,33H,14-21H2/t28-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50047016 (1-(4-Fluoro-phenyl)-4-[4-hydroxy-4-(3-trifluoromet...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H23F4NO2/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26/h1,3-4,6-9,15,29H,2,5,10-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183540 ((S)-(-)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...) Show SMILES O[C@@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C29H33F2NO2/c30-26-10-6-24(7-11-26)29(25-8-12-27(31)13-9-25)34-21-17-22-14-18-32(19-15-22)20-16-28(33)23-4-2-1-3-5-23/h1-13,22,28-29,33H,14-21H2/t28-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183545 (CHEMBL444540 | R-(-)-4-[2-[bis-(4-fluorophenyl)met...) Show SMILES C[C@@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C30H35F2NO/c1-23(21-25-5-3-2-4-6-25)22-33-18-15-24(16-19-33)17-20-34-30(26-7-11-28(31)12-8-26)27-9-13-29(32)14-10-27/h2-14,23-24,30H,15-22H2,1H3/t23-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50193455 (CHEMBL3966143) Show SMILES CN(CCCCN1C(COC1=O)c1ccccc1)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C21H25ClN2O2/c1-23(15-17-9-11-19(22)12-10-17)13-5-6-14-24-20(16-26-21(24)25)18-7-3-2-4-8-18/h2-4,7-12,20H,5-6,13-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting method				Eur J Med Chem 121: 712-726 (2016) Article DOI: 10.1016/j.ejmech.2016.06.001 BindingDB Entry DOI: 10.7270/Q2222WR9
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183532 (4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1-(3,4-di...) Show SMILES Fc1ccc(cc1)C(OCCC1CCN(CC2=Cc3ccccc3CC2)CC1)c1ccc(F)cc1 |t:17| Show InChI InChI=1S/C31H33F2NO/c32-29-11-7-26(8-12-29)31(27-9-13-30(33)14-10-27)35-20-17-23-15-18-34(19-16-23)22-24-5-6-25-3-1-2-4-28(25)21-24/h1-4,7-14,21,23,31H,5-6,15-20,22H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128860 BindingDB Entry DOI: 10.7270/Q2N87FR5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50310078 ((R/S)-1-(3-(6-Methoxynaphthalen-2-yl)butyl)piperid...) Show SMILES COc1ccc2cc(ccc2c1)C(C)CCN1CCCCC1 Show InChI InChI=1S/C20H27NO/c1-16(10-13-21-11-4-3-5-12-21)17-6-7-19-15-20(22-2)9-8-18(19)14-17/h6-9,14-16H,3-5,10-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 opioid receptor in rat liver homogenate				Bioorg Med Chem 18: 1204-12 (2010) Article DOI: 10.1016/j.bmc.2009.12.039 BindingDB Entry DOI: 10.7270/Q2PN95S5
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183546 (CHEMBL383071 | S-(+)-4-[2-[bis-(4-fluorophenyl)met...) Show SMILES C[C@@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C30H35F2NO/c1-23(25-5-3-2-4-6-25)15-19-33-20-16-24(17-21-33)18-22-34-30(26-7-11-28(31)12-8-26)27-9-13-29(32)14-10-27/h2-14,23-24,30H,15-22H2,1H3/t23-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183538 ((R)-(+)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...) Show SMILES O[C@H](CCc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C30H35F2NO2/c31-27-11-7-25(8-12-27)30(26-9-13-28(32)14-10-26)35-21-18-24-16-19-33(20-17-24)22-29(34)15-6-23-4-2-1-3-5-23/h1-5,7-14,24,29-30,34H,6,15-22H2/t29-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183547 (CHEMBL206128 | CHEMBL255065 | trans-(S,S)-4-[2-[bi...) Show SMILES Fc1ccc(cc1)C(OCCC1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C30H33F2NO/c31-27-10-6-24(7-11-27)30(25-8-12-28(32)13-9-25)34-19-16-22-14-17-33(18-15-22)21-26-20-29(26)23-4-2-1-3-5-23/h1-13,22,26,29-30H,14-21H2/t26-,29-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183548 ((S)-(+)-4-(2-benzhydryloxyethyl)-1-(3-phenylpropan...) Show SMILES O[C@H](CN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C29H35NO2/c31-28(22-25-10-4-1-5-11-25)23-30-19-16-24(17-20-30)18-21-32-29(26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,24,28-29,31H,16-23H2/t28-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128860 BindingDB Entry DOI: 10.7270/Q2N87FR5
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50502547 (CHEMBL4581662) Show SMILES O=C1CCc2ccccc2N1CCCCN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C23H35N3O/c27-23-13-12-20-8-4-5-11-22(20)26(23)15-7-6-14-24-16-18-25(19-17-24)21-9-2-1-3-10-21/h4-5,8,11,21H,1-3,6-7,9-10,12-19H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes in the presence of sigma1 receptor ligand (+)-pentazocine incuba...				Eur J Med Chem 180: 268-282 (2019) Article DOI: 10.1016/j.ejmech.2019.07.012 BindingDB Entry DOI: 10.7270/Q2ST7T3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183542 ((S)-(-)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...) Show SMILES O[C@@H](CCc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C30H35F2NO2/c31-27-11-7-25(8-12-27)30(26-9-13-28(32)14-10-26)35-21-18-24-16-19-33(20-17-24)22-29(34)15-6-23-4-2-1-3-5-23/h1-5,7-14,24,29-30,34H,6,15-22H2/t29-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183543 ((R)-(-)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...) Show SMILES O[C@@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C29H33F2NO2/c30-26-10-6-24(7-11-26)29(25-8-12-27(31)13-9-25)34-19-16-22-14-17-32(18-15-22)21-28(33)20-23-4-2-1-3-5-23/h1-13,22,28-29,33H,14-21H2/t28-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183550 ((R)-(+)-4-(2-benzhydryloxyethyl)-1-(3-phenylpropan...) Show SMILES O[C@H](CCN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C29H35NO2/c31-28(25-10-4-1-5-11-25)18-22-30-20-16-24(17-21-30)19-23-32-29(26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,24,28-29,31H,16-23H2/t28-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50380360 (CHEMBL2017957) Show SMILES CC(=O)N(CC1CCN(Cc2ccc(Cl)cc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C22H27ClN2O/c1-18(26)25(16-19-5-3-2-4-6-19)17-21-11-13-24(14-12-21)15-20-7-9-22(23)10-8-20/h2-10,21H,11-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma 1 opioid receptor in rat liver homogenate by liquid scintillation counting				ACS Med Chem Lett 2: 834-839 (2011) Article DOI: 10.1021/ml2001505 BindingDB Entry DOI: 10.7270/Q2RR208C
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50502547 (CHEMBL4581662) Show SMILES O=C1CCc2ccccc2N1CCCCN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C23H35N3O/c27-23-13-12-20-8-4-5-11-22(20)26(23)15-7-6-14-24-16-18-25(19-17-24)21-9-2-1-3-10-21/h4-5,8,11,21H,1-3,6-7,9-10,12-19H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H]ifenprodil from GluN1a/GluN2B (unknown origin) expressed in mouse L(tk-) cell membranes after 120 mins by solid scintillation cou...				Eur J Med Chem 180: 268-282 (2019) Article DOI: 10.1016/j.ejmech.2019.07.012 BindingDB Entry DOI: 10.7270/Q2ST7T3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183533 ((S)-(-)-4-(2-benzhydryloxyethyl)-1-(3-phenylpropan...) Show SMILES O[C@@H](CCN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C29H35NO2/c31-28(25-10-4-1-5-11-25)18-22-30-20-16-24(17-21-30)19-23-32-29(26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,24,28-29,31H,16-23H2/t28-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183546 (CHEMBL383071 | S-(+)-4-[2-[bis-(4-fluorophenyl)met...) Show SMILES C[C@@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C30H35F2NO/c1-23(25-5-3-2-4-6-25)15-19-33-20-16-24(17-21-33)18-22-34-30(26-7-11-28(31)12-8-26)27-9-13-29(32)14-10-27/h2-14,23-24,30H,15-22H2,1H3/t23-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183538 ((R)-(+)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...) Show SMILES O[C@H](CCc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C30H35F2NO2/c31-27-11-7-25(8-12-27)30(26-9-13-28(32)14-10-26)35-21-18-24-16-19-33(20-17-24)22-29(34)15-6-23-4-2-1-3-5-23/h1-5,7-14,24,29-30,34H,6,15-22H2/t29-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183541 (CHEMBL424682 | R-(-)-4-[2-[bis-(4-fluorophenyl)met...) Show SMILES C[C@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C30H35F2NO/c1-23(25-5-3-2-4-6-25)15-19-33-20-16-24(17-21-33)18-22-34-30(26-7-11-28(31)12-8-26)27-9-13-29(32)14-10-27/h2-14,23-24,30H,15-22H2,1H3/t23-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50310077 ((R/S)-N-Benzyl-3-(6-methoxynaphthalen-2-yl)-N-meth...) Show SMILES COc1ccc2cc(ccc2c1)C(C)CCN(C)Cc1ccccc1 Show InChI InChI=1S/C23H27NO/c1-18(13-14-24(2)17-19-7-5-4-6-8-19)20-9-10-22-16-23(25-3)12-11-21(22)15-20/h4-12,15-16,18H,13-14,17H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 opioid receptor in rat liver homogenate				Bioorg Med Chem 18: 1204-12 (2010) Article DOI: 10.1016/j.bmc.2009.12.039 BindingDB Entry DOI: 10.7270/Q2PN95S5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50310074 ((R/S)-4-(benzyl(methyl)amino)-2-(biphenyl-4-yl)but...) Show SMILES CN(CCC(C)(O)c1ccc(cc1)-c1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C24H27NO/c1-24(26,17-18-25(2)19-20-9-5-3-6-10-20)23-15-13-22(14-16-23)21-11-7-4-8-12-21/h3-16,26H,17-19H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 opioid receptor in rat liver homogenate				Bioorg Med Chem 18: 1204-12 (2010) Article DOI: 10.1016/j.bmc.2009.12.039 BindingDB Entry DOI: 10.7270/Q2PN95S5
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50370067 (CHEMBL1237164) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128860 BindingDB Entry DOI: 10.7270/Q2N87FR5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128860 BindingDB Entry DOI: 10.7270/Q2N87FR5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50295408 (3-[4-(N-Benzyl-N-methylamino)butyl]benzo[d]oxazol-...) Show SMILES CN(CCCCn1c2ccccc2oc1=O)Cc1ccccc1 Show InChI InChI=1S/C19H22N2O2/c1-20(15-16-9-3-2-4-10-16)13-7-8-14-21-17-11-5-6-12-18(17)23-19(21)22/h2-6,9-12H,7-8,13-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50295408 (3-[4-(N-Benzyl-N-methylamino)butyl]benzo[d]oxazol-...) Show SMILES CN(CCCCn1c2ccccc2oc1=O)Cc1ccccc1 Show InChI InChI=1S/C19H22N2O2/c1-20(15-16-9-3-2-4-10-16)13-7-8-14-21-17-11-5-6-12-18(17)23-19(21)22/h2-6,9-12H,7-8,13-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma 1 opioid receptor in rat liver homogenate by liquid scintillation counting				ACS Med Chem Lett 2: 834-839 (2011) Article DOI: 10.1021/ml2001505 BindingDB Entry DOI: 10.7270/Q2RR208C
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50193445 (CHEMBL3964384) Show SMILES CN(CCCCN1C(COC1=O)c1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C21H26N2O2/c1-22(16-18-10-4-2-5-11-18)14-8-9-15-23-20(17-25-21(23)24)19-12-6-3-7-13-19/h2-7,10-13,20H,8-9,14-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting method				Eur J Med Chem 121: 712-726 (2016) Article DOI: 10.1016/j.ejmech.2016.06.001 BindingDB Entry DOI: 10.7270/Q2222WR9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50193443 (CHEMBL3954990) Show SMILES CN(CCCCN1[C@@H](COC1=O)c1ccccc1)Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H25ClN2O2/c1-23(15-17-9-11-19(22)12-10-17)13-5-6-14-24-20(16-26-21(24)25)18-7-3-2-4-8-18/h2-4,7-12,20H,5-6,13-16H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting method				Eur J Med Chem 121: 712-726 (2016) Article DOI: 10.1016/j.ejmech.2016.06.001 BindingDB Entry DOI: 10.7270/Q2222WR9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50248955 (3-((1-(4-methylbenzyl)piperidin-4-yl)methyl)benzo[...) Show SMILES Cc1ccc(CN2CCC(Cn3c4ccccc4oc3=O)CC2)cc1 Show InChI InChI=1S/C21H24N2O2/c1-16-6-8-17(9-7-16)14-22-12-10-18(11-13-22)15-23-19-4-2-3-5-20(19)25-21(23)24/h2-9,18H,10-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.07	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5B (MOUSE)	BDBM50027065 ((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...) Show SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O |r,c:4| Show InChI InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	3.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by PDSP Ki Database									Mol Pharmacol 43: 313-9 (1993) BindingDB Entry DOI: 10.7270/Q2P849D6
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50248905 (3-((1-benzylpiperidin-4-yl)methyl)benzo[d]oxazol-2...) Show SMILES O=c1oc2ccccc2n1CC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H22N2O2/c23-20-22(18-8-4-5-9-19(18)24-20)15-17-10-12-21(13-11-17)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50248905 (3-((1-benzylpiperidin-4-yl)methyl)benzo[d]oxazol-2...) Show SMILES O=c1oc2ccccc2n1CC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H22N2O2/c23-20-22(18-8-4-5-9-19(18)24-20)15-17-10-12-21(13-11-17)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma 1 opioid receptor in rat liver homogenate by liquid scintillation counting				ACS Med Chem Lett 2: 834-839 (2011) Article DOI: 10.1021/ml2001505 BindingDB Entry DOI: 10.7270/Q2RR208C
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50198062 ((R/S)-N-Benzyl-3-(biphenyl-4-yl)-N-methylbutan-1-a...) Show SMILES CC(CCN(C)Cc1ccccc1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C24H27N/c1-20(17-18-25(2)19-21-9-5-3-6-10-21)22-13-15-24(16-14-22)23-11-7-4-8-12-23/h3-16,20H,17-19H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 opioid receptor in rat liver homogenate				Bioorg Med Chem 18: 1204-12 (2010) Article DOI: 10.1016/j.bmc.2009.12.039 BindingDB Entry DOI: 10.7270/Q2PN95S5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50062556 (CHEMBL3397622) Show SMILES Clc1ccc(CN2CCC(CC2)C(=O)N2CCCc3ccccc23)cc1 Show InChI InChI=1S/C22H25ClN2O/c23-20-9-7-17(8-10-20)16-24-14-11-19(12-15-24)22(26)25-13-3-5-18-4-1-2-6-21(18)25/h1-2,4,6-10,19H,3,5,11-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain cortex sigma1 receptor by scintillation analyzer				Eur J Med Chem 90: 797-808 (2015) Article DOI: 10.1016/j.ejmech.2014.12.018 BindingDB Entry DOI: 10.7270/Q2K64KQX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183544 (CHEMBL202644 | S-(+)-4-[2-[bis-(4-fluorophenyl)met...) Show SMILES C[C@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C30H35F2NO/c1-23(21-25-5-3-2-4-6-25)22-33-18-15-24(16-19-33)17-20-34-30(26-7-11-28(31)12-8-26)27-9-13-29(32)14-10-27/h2-14,23-24,30H,15-22H2,1H3/t23-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
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5-hydroxytryptamine receptor 5A (MOUSE)	BDBM50027065 ((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...) Show SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O |r,c:4| Show InChI InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by PDSP Ki Database									Mol Pharmacol 43: 313-9 (1993) BindingDB Entry DOI: 10.7270/Q2P849D6
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Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50198065 (4(E)-N-Benzyl-3-(biphenyl-4-yl)-N-methylbut-2-en-1...) Show SMILES CN(C\C=C(/C)c1ccc(cc1)-c1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C24H25N/c1-20(17-18-25(2)19-21-9-5-3-6-10-21)22-13-15-24(16-14-22)23-11-7-4-8-12-23/h3-17H,18-19H2,1-2H3/b20-17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 opioid receptor in rat liver homogenate				Bioorg Med Chem 18: 1204-12 (2010) Article DOI: 10.1016/j.bmc.2009.12.039 BindingDB Entry DOI: 10.7270/Q2PN95S5
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Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50310076 ((E)-1-(3-(6-Methoxynaphthalen-2-yl)but-2-enyl)pipe...) Show SMILES COc1ccc2cc(ccc2c1)C(\C)=C\CN1CCCCC1 Show InChI InChI=1S/C20H25NO/c1-16(10-13-21-11-4-3-5-12-21)17-6-7-19-15-20(22-2)9-8-18(19)14-17/h6-10,14-15H,3-5,11-13H2,1-2H3/b16-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 opioid receptor in rat liver homogenate				Bioorg Med Chem 18: 1204-12 (2010) Article DOI: 10.1016/j.bmc.2009.12.039 BindingDB Entry DOI: 10.7270/Q2PN95S5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50062557 (CHEMBL3397621) Show SMILES O=C(C1CCN(Cc2ccccc2)CC1)N1CCCc2ccccc12 Show InChI InChI=1S/C22H26N2O/c25-22(24-14-6-10-19-9-4-5-11-21(19)24)20-12-15-23(16-13-20)17-18-7-2-1-3-8-18/h1-5,7-9,11,20H,6,10,12-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain cortex sigma1 receptor by scintillation analyzer				Eur J Med Chem 90: 797-808 (2015) Article DOI: 10.1016/j.ejmech.2014.12.018 BindingDB Entry DOI: 10.7270/Q2K64KQX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50001028 ((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...) 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:16:15:1:3.4.10| 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+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128860 BindingDB Entry DOI: 10.7270/Q2N87FR5
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50502554 (CHEMBL4533030) Show SMILES CN(CCCCN1C(=O)CCc2ccccc12)Cc1ccc(C)cc1C Show InChI InChI=1S/C23H30N2O/c1-18-10-11-21(19(2)16-18)17-24(3)14-6-7-15-25-22-9-5-4-8-20(22)12-13-23(25)26/h4-5,8-11,16H,6-7,12-15,17H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H]ifenprodil from GluN1a/GluN2B (unknown origin) expressed in mouse L(tk-) cell membranes after 120 mins by solid scintillation cou...				Eur J Med Chem 180: 268-282 (2019) Article DOI: 10.1016/j.ejmech.2019.07.012 BindingDB Entry DOI: 10.7270/Q2ST7T3Z
					More data for this Ligand-Target Pair

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