Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'diez-iriepa' and Initial = 'd'   

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
Histamine H3 receptor (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Bourgogne Franche-Comt£ Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation countin...				J Med Chem 62: 11416-11422 (2019) Article DOI: 10.1021/acs.jmedchem.9b00937 BindingDB Entry DOI: 10.7270/Q2736V9G
					More data for this Ligand-Target Pair
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	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50338990 (1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piper...) Show SMILES COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC Show InChI InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50562054 (CHEMBL4781384) Show SMILES O=c1ccoc2ccc(OCCCCCN3CCOCC3)cc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia 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
TBA					Assay Description Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					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	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50562053 (CHEMBL4754019) Show SMILES O=c1ccoc2ccc(OCCCCN3CCOCC3)cc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50562062 (CHEMBL4754186) Show SMILES O=c1ccoc2ccc(OCCCN3CCCCCC3)cc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50519742 (CHEMBL4469017) Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(OCCCN2CCCCC2)cc1)C(=O)OCC |c:5,10| Show InChI InChI=1S/C27H38N2O5/c1-5-32-26(30)23-19(3)28-20(4)24(27(31)33-6-2)25(23)21-11-13-22(14-12-21)34-18-10-17-29-15-8-7-9-16-29/h11-14,25,28H,5-10,15-18H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Bourgogne Franche-Comt£ Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation countin...				J Med Chem 62: 11416-11422 (2019) Article DOI: 10.1021/acs.jmedchem.9b00937 BindingDB Entry DOI: 10.7270/Q2736V9G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50519739 (CHEMBL4443523) Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(OCCCCN2CCCC2)cc1)C(=O)OCC |c:5,10| Show InChI InChI=1S/C27H38N2O5/c1-5-32-26(30)23-19(3)28-20(4)24(27(31)33-6-2)25(23)21-11-13-22(14-12-21)34-18-10-9-17-29-15-7-8-16-29/h11-14,25,28H,5-10,15-18H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Bourgogne Franche-Comt£ Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation countin...				J Med Chem 62: 11416-11422 (2019) Article DOI: 10.1021/acs.jmedchem.9b00937 BindingDB Entry DOI: 10.7270/Q2736V9G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50562048 (CHEMBL4778747) Show SMILES O=c1ccoc2ccc(OCCCN3CCCCC3)cc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50519746 (CHEMBL4455698) Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(OCCCN2CCCC2)cc1)C(=O)OCC |c:5,10| Show InChI InChI=1S/C26H36N2O5/c1-5-31-25(29)22-18(3)27-19(4)23(26(30)32-6-2)24(22)20-10-12-21(13-11-20)33-17-9-16-28-14-7-8-15-28/h10-13,24,27H,5-9,14-17H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Bourgogne Franche-Comt£ Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation countin...				J Med Chem 62: 11416-11422 (2019) Article DOI: 10.1021/acs.jmedchem.9b00937 BindingDB Entry DOI: 10.7270/Q2736V9G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50562057 (CHEMBL4751000) Show SMILES CN1CCN(CCCCCOc2ccc3occc(=O)c3c2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50562046 (CHEMBL4778990) Show SMILES O=c1ccoc2ccc(OCCCCCN3CCCC3)cc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50562063 (CHEMBL4799641) Show SMILES C[C@@H]1CCCN1CCCCOc1ccc2occc(=O)c2c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50562061 (CHEMBL4783222) Show SMILES O=c1ccoc2ccc(OCCN3CCCCCC3)cc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50562064 (CHEMBL4781625) Show SMILES C[C@@H]1CCCN1CCCCCOc1ccc2occc(=O)c2c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50562050 (CHEMBL4780620) Show SMILES O=c1ccoc2ccc(OCCCCCN3CCCCC3)cc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	213	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50562060 (CHEMBL4765193) Show SMILES CCN(CC)CCCCCOc1ccc2occc(=O)c2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	218	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50562045 (CHEMBL4780719) Show SMILES O=c1ccoc2ccc(OCCCCN3CCCC3)cc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	227	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50562052 (CHEMBL4779372) Show SMILES O=c1ccoc2ccc(OCCCN3CCOCC3)cc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	245	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50562049 (CHEMBL4776765) Show SMILES O=c1ccoc2ccc(OCCCCN3CCCCC3)cc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	309	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50519740 (CHEMBL4528980) Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(OCCCCCN2CCCC2)cc1)C(=O)OCC |c:5,10| Show InChI InChI=1S/C28H40N2O5/c1-5-33-27(31)24-20(3)29-21(4)25(28(32)34-6-2)26(24)22-12-14-23(15-13-22)35-19-11-7-8-16-30-17-9-10-18-30/h12-15,26,29H,5-11,16-19H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	425	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Bourgogne Franche-Comt£ Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation countin...				J Med Chem 62: 11416-11422 (2019) Article DOI: 10.1021/acs.jmedchem.9b00937 BindingDB Entry DOI: 10.7270/Q2736V9G
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50562050 (CHEMBL4780620) Show SMILES O=c1ccoc2ccc(OCCCCCN3CCCCC3)cc12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50562044 (CHEMBL4765152) Show SMILES O=c1ccoc2ccc(OCCCN3CCCC3)cc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	499	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50519735 (CHEMBL4573309) Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(OCCCCCN2CCCCC2)cc1)C(=O)OCC |c:5,10| Show InChI InChI=1S/C29H42N2O5/c1-5-34-28(32)25-21(3)30-22(4)26(29(33)35-6-2)27(25)23-13-15-24(16-14-23)36-20-12-8-11-19-31-17-9-7-10-18-31/h13-16,27,30H,5-12,17-20H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	565	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Bourgogne Franche-Comt£ Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation countin...				J Med Chem 62: 11416-11422 (2019) Article DOI: 10.1021/acs.jmedchem.9b00937 BindingDB Entry DOI: 10.7270/Q2736V9G
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50562064 (CHEMBL4781625) Show SMILES C[C@@H]1CCCN1CCCCCOc1ccc2occc(=O)c2c1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	583	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50562055 (CHEMBL4779000) Show SMILES CN1CCN(CCOc2ccc3occc(=O)c3c2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	604	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50562062 (CHEMBL4754186) Show SMILES O=c1ccoc2ccc(OCCCN3CCCCCC3)cc12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50562056 (CHEMBL4760964) Show SMILES CN1CCN(CCCOc2ccc3occc(=O)c3c2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	809	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50562047 (CHEMBL4789695) Show SMILES O=c1ccoc2ccc(OCCN3CCCCC3)cc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	825	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50562063 (CHEMBL4799641) Show SMILES C[C@@H]1CCCN1CCCCOc1ccc2occc(=O)c2c1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					Assay Description Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50562059 (CHEMBL4794779) Show SMILES CCN(CC)CCCOc1ccc2occc(=O)c2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50562046 (CHEMBL4778990) Show SMILES O=c1ccoc2ccc(OCCCCCN3CCCC3)cc12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50519745 (CHEMBL4518949) Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(OCCCN2CCCCC2)c(OCC)c1)C(=O)OCC |c:5,10| Show InChI InChI=1S/C29H42N2O6/c1-6-34-24-19-22(13-14-23(24)37-18-12-17-31-15-10-9-11-16-31)27-25(28(32)35-7-2)20(4)30-21(5)26(27)29(33)36-8-3/h13-14,19,27,30H,6-12,15-18H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Bourgogne Franche-Comt£ Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation countin...				J Med Chem 62: 11416-11422 (2019) Article DOI: 10.1021/acs.jmedchem.9b00937 BindingDB Entry DOI: 10.7270/Q2736V9G
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50562061 (CHEMBL4783222) Show SMILES O=c1ccoc2ccc(OCCN3CCCCCC3)cc12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50562049 (CHEMBL4776765) Show SMILES O=c1ccoc2ccc(OCCCCN3CCCCC3)cc12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50562060 (CHEMBL4765193) Show SMILES CCN(CC)CCCCCOc1ccc2occc(=O)c2c1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50562054 (CHEMBL4781384) Show SMILES O=c1ccoc2ccc(OCCCCCN3CCOCC3)cc12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50562043 (CHEMBL4778900) Show SMILES O=c1ccoc2ccc(OCCN3CCCC3)cc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50562048 (CHEMBL4778747) Show SMILES O=c1ccoc2ccc(OCCCN3CCCCC3)cc12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50562045 (CHEMBL4780719) Show SMILES O=c1ccoc2ccc(OCCCCN3CCCC3)cc12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50562057 (CHEMBL4751000) Show SMILES CN1CCN(CCCCCOc2ccc3occc(=O)c3c2)CC1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50562059 (CHEMBL4794779) Show SMILES CCN(CC)CCCOc1ccc2occc(=O)c2c1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50562047 (CHEMBL4789695) Show SMILES O=c1ccoc2ccc(OCCN3CCCCC3)cc12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50562051 (CHEMBL4750183) Show SMILES O=c1ccoc2ccc(OCCN3CCOCC3)cc12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50562051 (CHEMBL4750183) Show SMILES O=c1ccoc2ccc(OCCN3CCOCC3)cc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50562058 (CHEMBL4794757) Show SMILES CCN(CC)CCOc1ccc2occc(=O)c2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50562043 (CHEMBL4778900) Show SMILES O=c1ccoc2ccc(OCCN3CCCC3)cc12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method				Citation and Details Article DOI: 10.1039/d1md00105a BindingDB Entry DOI: 10.7270/Q2125XB5
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 86 total )  |  Next  |  Last  >>

Jump to: