Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for entry = 50010607   

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))	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	6.30	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 sigma-1 receptor in guinea pig brain membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540585 (CHEMBL4639180) Show SMILES O=C(N1CCCN(Cc2ccccc2)CC1)c1cc2ccccc2o1 Show InChI InChI=1S/C21H22N2O2/c24-21(20-15-18-9-4-5-10-19(18)25-20)23-12-6-11-22(13-14-23)16-17-7-2-1-3-8-17/h1-5,7-10,15H,6,11-14,16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	8	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 sigma-1 receptor in guinea pig brain membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50083351 ((+/-)-[2-(4-benzylpiperidino)-1-(4-hydroxyphenyl)-...) Show SMILES CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	10	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 GluN2B (unknown origin) expressed in mouse L(tk-) cell membranes co-expressing GluN1a incubated for 120 mins by s...				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540586 (CHEMBL4633788) Show SMILES O=C(N1CCCN(Cc2ccccc2)CC1)c1ccc2ccccc2n1 Show InChI InChI=1S/C22H23N3O/c26-22(21-12-11-19-9-4-5-10-20(19)23-21)25-14-6-13-24(15-16-25)17-18-7-2-1-3-8-18/h1-5,7-12H,6,13-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	19	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 sigma-1 receptor in guinea pig brain membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540592 (CHEMBL4643805) Show SMILES Cc1ccc(CN2CCCN(CC2)C(=O)c2cc3ccccc3o2)c(C)c1 Show InChI InChI=1S/C23H26N2O2/c1-17-8-9-20(18(2)14-17)16-24-10-5-11-25(13-12-24)23(26)22-15-19-6-3-4-7-21(19)27-22/h3-4,6-9,14-15H,5,10-13,16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	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 sigma-1 receptor in guinea pig brain membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50540592 (CHEMBL4643805) Show SMILES Cc1ccc(CN2CCCN(CC2)C(=O)c2cc3ccccc3o2)c(C)c1 Show InChI InChI=1S/C23H26N2O2/c1-17-8-9-20(18(2)14-17)16-24-10-5-11-25(13-12-24)23(26)22-15-19-6-3-4-7-21(19)27-22/h3-4,6-9,14-15H,5,10-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	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 sigma-2 receptor in rat liver membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540593 (CHEMBL4640137) Show SMILES Cc1ccc(CN2CCCN(CC2)C(=O)c2ccc3ccccc3n2)c(C)c1 Show InChI InChI=1S/C24H27N3O/c1-18-8-9-21(19(2)16-18)17-26-12-5-13-27(15-14-26)24(28)23-11-10-20-6-3-4-7-22(20)25-23/h3-4,6-11,16H,5,12-15,17H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	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 sigma-1 receptor in guinea pig brain membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50540593 (CHEMBL4640137) Show SMILES Cc1ccc(CN2CCCN(CC2)C(=O)c2ccc3ccccc3n2)c(C)c1 Show InChI InChI=1S/C24H27N3O/c1-18-8-9-21(19(2)16-18)17-26-12-5-13-27(15-14-26)24(28)23-11-10-20-6-3-4-7-22(20)25-23/h3-4,6-11,16H,5,12-15,17H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	35	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 sigma-2 receptor in rat liver membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540588 (CHEMBL4640809) Show SMILES O=C(N1CCCN(Cc2ccccc2)CC1)c1cccc2ccccc12 Show InChI InChI=1S/C23H24N2O/c26-23(22-13-6-11-20-10-4-5-12-21(20)22)25-15-7-14-24(16-17-25)18-19-8-2-1-3-9-19/h1-6,8-13H,7,14-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	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 sigma-1 receptor in guinea pig brain membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50540586 (CHEMBL4633788) Show SMILES O=C(N1CCCN(Cc2ccccc2)CC1)c1ccc2ccccc2n1 Show InChI InChI=1S/C22H23N3O/c26-22(21-12-11-19-9-4-5-10-20(19)23-21)25-14-6-13-24(15-16-25)17-18-7-2-1-3-8-18/h1-5,7-12H,6,13-17H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	47	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 sigma-2 receptor in rat liver membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50540585 (CHEMBL4639180) Show SMILES O=C(N1CCCN(Cc2ccccc2)CC1)c1cc2ccccc2o1 Show InChI InChI=1S/C21H22N2O2/c24-21(20-15-18-9-4-5-10-19(18)25-20)23-12-6-11-22(13-14-23)16-17-7-2-1-3-8-17/h1-5,7-10,15H,6,11-14,16H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	47	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 sigma-2 receptor in rat liver membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50009307 (DITOLYLGUANIDINE | Di-o-tolylguanidine) Show SMILES Cc1ccccc1NC(=N)Nc1ccccc1C Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	57	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 sigma-2 receptor in rat liver membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50540592 (CHEMBL4643805) Show SMILES Cc1ccc(CN2CCCN(CC2)C(=O)c2cc3ccccc3o2)c(C)c1 Show InChI InChI=1S/C23H26N2O2/c1-17-8-9-20(18(2)14-17)16-24-10-5-11-25(13-12-24)23(26)22-15-19-6-3-4-7-21(19)27-22/h3-4,6-9,14-15H,5,10-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	59	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 GluN2B (unknown origin) expressed in mouse L(tk-) cell membranes co-expressing GluN1a incubated for 120 mins by s...				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540595 (CHEMBL4644807) Show SMILES Cc1ccc(CN2CCCN(CC2)C(=O)c2cccc3ccccc23)c(C)c1 Show InChI InChI=1S/C25H28N2O/c1-19-11-12-22(20(2)17-19)18-26-13-6-14-27(16-15-26)25(28)24-10-5-8-21-7-3-4-9-23(21)24/h3-5,7-12,17H,6,13-16,18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	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 sigma-1 receptor in guinea pig brain membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	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	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	78	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 sigma-2 receptor in rat liver membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50540595 (CHEMBL4644807) Show SMILES Cc1ccc(CN2CCCN(CC2)C(=O)c2cccc3ccccc23)c(C)c1 Show InChI InChI=1S/C25H28N2O/c1-19-11-12-22(20(2)17-19)18-26-13-6-14-27(16-15-26)25(28)24-10-5-8-21-7-3-4-9-23(21)24/h3-5,7-12,17H,6,13-16,18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	79	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 GluN2B (unknown origin) expressed in mouse L(tk-) cell membranes co-expressing GluN1a incubated for 120 mins by s...				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50009307 (DITOLYLGUANIDINE | Di-o-tolylguanidine) Show SMILES Cc1ccccc1NC(=N)Nc1ccccc1C Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	89	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 sigma-1 receptor in guinea pig brain membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50083351 ((+/-)-[2-(4-benzylpiperidino)-1-(4-hydroxyphenyl)-...) Show SMILES CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	98	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 sigma-2 receptor in rat liver membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50540595 (CHEMBL4644807) Show SMILES Cc1ccc(CN2CCCN(CC2)C(=O)c2cccc3ccccc23)c(C)c1 Show InChI InChI=1S/C25H28N2O/c1-19-11-12-22(20(2)17-19)18-26-13-6-14-27(16-15-26)25(28)24-10-5-8-21-7-3-4-9-23(21)24/h3-5,7-12,17H,6,13-16,18H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	102	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 sigma-2 receptor in rat liver membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50540593 (CHEMBL4640137) Show SMILES Cc1ccc(CN2CCCN(CC2)C(=O)c2ccc3ccccc3n2)c(C)c1 Show InChI InChI=1S/C24H27N3O/c1-18-8-9-21(19(2)16-18)17-26-12-5-13-27(15-14-26)24(28)23-11-10-20-6-3-4-7-22(20)25-23/h3-4,6-11,16H,5,12-15,17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	108	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 GluN2B (unknown origin) expressed in mouse L(tk-) cell membranes co-expressing GluN1a incubated for 120 mins by s...				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50540594 (CHEMBL4643145) Show SMILES Cc1ccc(CN2CCCN(CC2)C(=O)c2ccncc2)c(C)c1 Show InChI InChI=1S/C20H25N3O/c1-16-4-5-19(17(2)14-16)15-22-10-3-11-23(13-12-22)20(24)18-6-8-21-9-7-18/h4-9,14H,3,10-13,15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	116	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 GluN2B (unknown origin) expressed in mouse L(tk-) cell membranes co-expressing GluN1a incubated for 120 mins by s...				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540589 (CHEMBL4644248) Show SMILES O=C(N1CCCN(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C19H22N2O/c22-19(18-10-5-2-6-11-18)21-13-7-12-20(14-15-21)16-17-8-3-1-4-9-17/h1-6,8-11H,7,12-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	116	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 sigma-1 receptor in guinea pig brain membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50083351 ((+/-)-[2-(4-benzylpiperidino)-1-(4-hydroxyphenyl)-...) Show SMILES CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	125	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 sigma-1 receptor in guinea pig brain membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540584 (CHEMBL4638673) Show SMILES O=C(N1CCCN(Cc2ccccc2)CC1)c1cccs1 Show InChI InChI=1S/C17H20N2OS/c20-17(16-8-4-13-21-16)19-10-5-9-18(11-12-19)14-15-6-2-1-3-7-15/h1-4,6-8,13H,5,9-12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	147	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 sigma-1 receptor in guinea pig brain membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50540588 (CHEMBL4640809) Show SMILES O=C(N1CCCN(Cc2ccccc2)CC1)c1cccc2ccccc12 Show InChI InChI=1S/C23H24N2O/c26-23(22-13-6-11-20-10-4-5-12-21(20)22)25-15-7-14-24(16-17-25)18-19-8-2-1-3-9-19/h1-6,8-13H,7,14-18H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	187	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 sigma-2 receptor in rat liver membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540594 (CHEMBL4643145) Show SMILES Cc1ccc(CN2CCCN(CC2)C(=O)c2ccncc2)c(C)c1 Show InChI InChI=1S/C20H25N3O/c1-16-4-5-19(17(2)14-16)15-22-10-3-11-23(13-12-22)20(24)18-6-8-21-9-7-18/h4-9,14H,3,10-13,15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	254	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 sigma-1 receptor in guinea pig brain membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540587 (CHEMBL4636240) Show SMILES O=C(N1CCCN(Cc2ccccc2)CC1)c1ccncc1 Show InChI InChI=1S/C18H21N3O/c22-18(17-7-9-19-10-8-17)21-12-4-11-20(13-14-21)15-16-5-2-1-3-6-16/h1-3,5-10H,4,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	267	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 sigma-1 receptor in guinea pig brain membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50540596 (CHEMBL4636728) Show SMILES Cc1ccc(CN2CCCN(CC2)C(=O)c2ccccc2)c(C)c1 Show InChI InChI=1S/C21H26N2O/c1-17-9-10-20(18(2)15-17)16-22-11-6-12-23(14-13-22)21(24)19-7-4-3-5-8-19/h3-5,7-10,15H,6,11-14,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	294	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 GluN2B (unknown origin) expressed in mouse L(tk-) cell membranes co-expressing GluN1a incubated for 120 mins by s...				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50540584 (CHEMBL4638673) Show SMILES O=C(N1CCCN(Cc2ccccc2)CC1)c1cccs1 Show InChI InChI=1S/C17H20N2OS/c20-17(16-8-4-13-21-16)19-10-5-9-18(11-12-19)14-15-6-2-1-3-7-15/h1-4,6-8,13H,5,9-12,14H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	297	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 sigma-2 receptor in rat liver membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540583 (CHEMBL4636929) Show SMILES O=C(N1CCCN(Cc2ccccc2)CC1)c1ccco1 Show InChI InChI=1S/C17H20N2O2/c20-17(16-8-4-13-21-16)19-10-5-9-18(11-12-19)14-15-6-2-1-3-7-15/h1-4,6-8,13H,5,9-12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	333	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 sigma-1 receptor in guinea pig brain membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540591 (CHEMBL4636805) Show SMILES Cc1ccc(CN2CCCN(CC2)C(=O)c2cccs2)c(C)c1 Show InChI InChI=1S/C19H24N2OS/c1-15-6-7-17(16(2)13-15)14-20-8-4-9-21(11-10-20)19(22)18-5-3-12-23-18/h3,5-7,12-13H,4,8-11,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	336	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 sigma-1 receptor in guinea pig brain membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50540587 (CHEMBL4636240) Show SMILES O=C(N1CCCN(Cc2ccccc2)CC1)c1ccncc1 Show InChI InChI=1S/C18H21N3O/c22-18(17-7-9-19-10-8-17)21-12-4-11-20(13-14-21)15-16-5-2-1-3-6-16/h1-3,5-10H,4,11-15H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	495	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 sigma-2 receptor in rat liver membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50540583 (CHEMBL4636929) Show SMILES O=C(N1CCCN(Cc2ccccc2)CC1)c1ccco1 Show InChI InChI=1S/C17H20N2O2/c20-17(16-8-4-13-21-16)19-10-5-9-18(11-12-19)14-15-6-2-1-3-7-15/h1-4,6-8,13H,5,9-12,14H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	560	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 sigma-2 receptor in rat liver membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540590 (CHEMBL4638934) Show SMILES Cc1ccc(CN2CCCN(CC2)C(=O)c2ccco2)c(C)c1 Show InChI InChI=1S/C19H24N2O2/c1-15-6-7-17(16(2)13-15)14-20-8-4-9-21(11-10-20)19(22)18-5-3-12-23-18/h3,5-7,12-13H,4,8-11,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	690	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 sigma-1 receptor in guinea pig brain membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540596 (CHEMBL4636728) Show SMILES Cc1ccc(CN2CCCN(CC2)C(=O)c2ccccc2)c(C)c1 Show InChI InChI=1S/C21H26N2O/c1-17-9-10-20(18(2)15-17)16-22-11-6-12-23(14-13-22)21(24)19-7-4-3-5-8-19/h3-5,7-10,15H,6,11-14,16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	849	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 sigma-1 receptor in guinea pig brain membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50540586 (CHEMBL4633788) Show SMILES O=C(N1CCCN(Cc2ccccc2)CC1)c1ccc2ccccc2n1 Show InChI InChI=1S/C22H23N3O/c26-22(21-12-11-19-9-4-5-10-20(19)23-21)25-14-6-13-24(15-16-25)17-18-7-2-1-3-8-18/h1-5,7-12H,6,13-17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.50E+3	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 GluN2B (unknown origin) expressed in mouse L(tk-) cell membranes co-expressing GluN1a incubated for 120 mins by s...				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50540585 (CHEMBL4639180) Show SMILES O=C(N1CCCN(Cc2ccccc2)CC1)c1cc2ccccc2o1 Show InChI InChI=1S/C21H22N2O2/c24-21(20-15-18-9-4-5-10-19(18)25-20)23-12-6-11-22(13-14-23)16-17-7-2-1-3-8-17/h1-5,7-10,15H,6,11-14,16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.60E+3	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 GluN2B (unknown origin) expressed in mouse L(tk-) cell membranes co-expressing GluN1a incubated for 120 mins by s...				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50540591 (CHEMBL4636805) Show SMILES Cc1ccc(CN2CCCN(CC2)C(=O)c2cccs2)c(C)c1 Show InChI InChI=1S/C19H24N2OS/c1-15-6-7-17(16(2)13-15)14-20-8-4-9-21(11-10-20)19(22)18-5-3-12-23-18/h3,5-7,12-13H,4,8-11,14H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.80E+3	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 sigma-2 receptor in rat liver membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50540594 (CHEMBL4643145) Show SMILES Cc1ccc(CN2CCCN(CC2)C(=O)c2ccncc2)c(C)c1 Show InChI InChI=1S/C20H25N3O/c1-16-4-5-19(17(2)14-16)15-22-10-3-11-23(13-12-22)20(24)18-6-8-21-9-7-18/h4-9,14H,3,10-13,15H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.00E+3	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 sigma-2 receptor in rat liver membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50540590 (CHEMBL4638934) Show SMILES Cc1ccc(CN2CCCN(CC2)C(=O)c2ccco2)c(C)c1 Show InChI InChI=1S/C19H24N2O2/c1-15-6-7-17(16(2)13-15)14-20-8-4-9-21(11-10-20)19(22)18-5-3-12-23-18/h3,5-7,12-13H,4,8-11,14H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90E+3	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 sigma-2 receptor in rat liver membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50540596 (CHEMBL4636728) Show SMILES Cc1ccc(CN2CCCN(CC2)C(=O)c2ccccc2)c(C)c1 Show InChI InChI=1S/C21H26N2O/c1-17-9-10-20(18(2)15-17)16-22-11-6-12-23(14-13-22)21(24)19-7-4-3-5-8-19/h3-5,7-10,15H,6,11-14,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	3.90E+3	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 sigma-2 receptor in rat liver membranes after 120 mins by scintillation counting method				ACS Med Chem Lett 11: 651-656 (2020) Article DOI: 10.1021/acsmedchemlett.9b00524 BindingDB Entry DOI: 10.7270/Q2ZS3134
					More data for this Ligand-Target Pair