Compile Data Set for Download or QSAR

Found 1056 hits with Last Name = 'virgili' and Initial = 'm'   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50514249 (CHEMBL4436170) Show SMILES CC(C)C1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C25H32N2O2/c1-20(2)23-24(28)27(22-11-7-4-8-12-22)19-25(29-23)14-17-26(18-15-25)16-13-21-9-5-3-6-10-21/h3-12,20,23H,13-19H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					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	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50580818 (CHEMBL5087472) Show SMILES CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA					Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00417 BindingDB Entry DOI: 10.7270/Q2HH6PX3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50548585 (CHEMBL4748898) Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(Cc2ccccc2)C1=O Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA					Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01127 BindingDB Entry DOI: 10.7270/Q2PC35ZC
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50514239 (CHEMBL4470425) Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1cncc(F)c1 Show InChI InChI=1S/C22H26FN3O2/c1-17-21(27)26(20-13-19(23)14-24-15-20)16-22(28-17)8-11-25(12-9-22)10-7-18-5-3-2-4-6-18/h2-6,13-15,17H,7-12,16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50514273 (CHEMBL4516327) Show SMILES CC1(C)OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C24H30N2O2/c1-23(2)22(27)26(21-11-7-4-8-12-21)19-24(28-23)14-17-25(18-15-24)16-13-20-9-5-3-6-10-20/h3-12H,13-19H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50514252 (CHEMBL4452042) Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1Cl Show InChI InChI=1S/C23H27ClN2O2/c1-18-22(27)26(21-10-6-5-9-20(21)24)17-23(28-18)12-15-25(16-13-23)14-11-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50514248 (CHEMBL4515812) Show SMILES CCC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C24H30N2O2/c1-2-22-23(27)26(21-11-7-4-8-12-21)19-24(28-22)14-17-25(18-15-24)16-13-20-9-5-3-6-10-20/h3-12,22H,2,13-19H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50580831 (CHEMBL5084344) Show SMILES CCC(=O)N(CC1(CCOCC1)N1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA					Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00417 BindingDB Entry DOI: 10.7270/Q2HH6PX3
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50514234 (CHEMBL4541206) Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C23H28N2O2/c1-19-22(26)25(21-10-6-3-7-11-21)18-23(27-19)13-16-24(17-14-23)15-12-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50514248 (CHEMBL4515812) Show SMILES CCC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C24H30N2O2/c1-2-22-23(27)26(21-11-7-4-8-12-21)19-24(28-22)14-17-25(18-15-24)16-13-20-9-5-3-6-10-20/h3-12,22H,2,13-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50514234 (CHEMBL4541206) Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C23H28N2O2/c1-19-22(26)25(21-10-6-3-7-11-21)18-23(27-19)13-16-24(17-14-23)15-12-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	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 sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation count...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01127 BindingDB Entry DOI: 10.7270/Q2PC35ZC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50580827 (CHEMBL5081133) Show SMILES CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00417 BindingDB Entry DOI: 10.7270/Q2HH6PX3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50514232 (CHEMBL4536259) Show SMILES CC1OC2(CCN(CCc3ccccc3F)CC2)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C23H27FN2O2/c1-18-22(27)26(20-8-3-2-4-9-20)17-23(28-18)12-15-25(16-13-23)14-11-19-7-5-6-10-21(19)24/h2-10,18H,11-17H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50580832 (CHEMBL5089000) Show SMILES CCC(=O)N(CC1(CCSCC1)N1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00417 BindingDB Entry DOI: 10.7270/Q2HH6PX3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50548583 (CHEMBL4789005) Show SMILES C[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(C2CC2)C1=O |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01127 BindingDB Entry DOI: 10.7270/Q2PC35ZC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50514234 (CHEMBL4541206) Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C23H28N2O2/c1-19-22(26)25(21-10-6-3-7-11-21)18-23(27-19)13-16-24(17-14-23)15-12-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50514234 (CHEMBL4541206) Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C23H28N2O2/c1-19-22(26)25(21-10-6-3-7-11-21)18-23(27-19)13-16-24(17-14-23)15-12-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01127 BindingDB Entry DOI: 10.7270/Q2PC35ZC
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50580827 (CHEMBL5081133) Show SMILES CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	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 transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00417 BindingDB Entry DOI: 10.7270/Q2HH6PX3
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50580820 (CHEMBL5094913) Show SMILES CCC(=O)N(Cc1ccccc1)CC1(CC1)N1CCN(Cc2ccccc2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	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 transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00417 BindingDB Entry DOI: 10.7270/Q2HH6PX3
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50514232 (CHEMBL4536259) Show SMILES CC1OC2(CCN(CCc3ccccc3F)CC2)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C23H27FN2O2/c1-18-22(27)26(20-8-3-2-4-9-20)17-23(28-18)12-15-25(16-13-23)14-11-19-7-5-6-10-21(19)24/h2-10,18H,11-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50514257 (CHEMBL4538620) Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C23H26F3N3O2/c1-17-21(30)29(20-9-5-8-19(27-20)23(24,25)26)16-22(31-17)11-14-28(15-12-22)13-10-18-6-3-2-4-7-18/h2-9,17H,10-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50514252 (CHEMBL4452042) Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1Cl Show InChI InChI=1S/C23H27ClN2O2/c1-18-22(27)26(21-10-6-5-9-20(21)24)17-23(28-18)12-15-25(16-13-23)14-11-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50514259 (CHEMBL4534193) Show SMILES CC1OC2(CCN(CCc3cccc(F)c3)CC2)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C23H27FN2O2/c1-18-22(27)26(21-8-3-2-4-9-21)17-23(28-18)11-14-25(15-12-23)13-10-19-6-5-7-20(24)16-19/h2-9,16,18H,10-15,17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50514253 (CHEMBL4584335) Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1F Show InChI InChI=1S/C23H27FN2O2/c1-18-22(27)26(21-10-6-5-9-20(21)24)17-23(28-18)12-15-25(16-13-23)14-11-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50580824 (CHEMBL5076404) Show SMILES CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1ccccn1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00417 BindingDB Entry DOI: 10.7270/Q2HH6PX3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50514247 (CHEMBL4450665) Show SMILES C[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1 |r| Show InChI InChI=1S/C23H28N2O2/c1-19-22(26)25(21-10-6-3-7-11-21)18-23(27-19)13-16-24(17-14-23)15-12-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3/t19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50514251 (CHEMBL4438550) Show SMILES O=C1N(CC2(CCN(CCc3ccccc3)CC2)OC11CC1)c1ccccc1 Show InChI InChI=1S/C24H28N2O2/c27-22-24(12-13-24)28-23(19-26(22)21-9-5-2-6-10-21)14-17-25(18-15-23)16-11-20-7-3-1-4-8-20/h1-10H,11-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50580821 (CHEMBL5089489) Show SMILES CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1O Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00417 BindingDB Entry DOI: 10.7270/Q2HH6PX3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50580822 (CHEMBL5075502) Show SMILES CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1F Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00417 BindingDB Entry DOI: 10.7270/Q2HH6PX3
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50514258 (CHEMBL4560624) Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C23H26F3N3O2/c1-17-21(30)29(19-7-8-20(27-15-19)23(24,25)26)16-22(31-17)10-13-28(14-11-22)12-9-18-5-3-2-4-6-18/h2-8,15,17H,9-14,16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50548585 (CHEMBL4748898) Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(Cc2ccccc2)C1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	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 sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation count...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01127 BindingDB Entry DOI: 10.7270/Q2PC35ZC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50514259 (CHEMBL4534193) Show SMILES CC1OC2(CCN(CCc3cccc(F)c3)CC2)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C23H27FN2O2/c1-18-22(27)26(21-8-3-2-4-9-21)17-23(28-18)11-14-25(15-12-23)13-10-19-6-5-7-20(24)16-19/h2-9,16,18H,10-15,17H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50514249 (CHEMBL4436170) Show SMILES CC(C)C1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C25H32N2O2/c1-20(2)23-24(28)27(22-11-7-4-8-12-22)19-25(29-23)14-17-26(18-15-25)16-13-21-9-5-3-6-10-21/h3-12,20,23H,13-19H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50580813 (CHEMBL5077038) Show SMILES CC(C)(CNc1ccccc1)N1CCN(Cc2ccccc2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	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 transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00417 BindingDB Entry DOI: 10.7270/Q2HH6PX3
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50514253 (CHEMBL4584335) Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1F Show InChI InChI=1S/C23H27FN2O2/c1-18-22(27)26(21-10-6-5-9-20(21)24)17-23(28-18)12-15-25(16-13-23)14-11-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50514262 (CHEMBL4576031) Show SMILES C[C@H]1OC2(CCN(CCc3ccccc3F)CC2)CN(C1=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C23H25F4N3O2/c1-16-21(31)30(20-14-28-10-6-18(20)23(25,26)27)15-22(32-16)8-12-29(13-9-22)11-7-17-4-2-3-5-19(17)24/h2-6,10,14,16H,7-9,11-13,15H2,1H3/t16-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50514233 (CHEMBL4544352) Show SMILES CC1OC2(CCN(CCc3ccc(F)cc3)CC2)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C23H27FN2O2/c1-18-22(27)26(21-5-3-2-4-6-21)17-23(28-18)12-15-25(16-13-23)14-11-19-7-9-20(24)10-8-19/h2-10,18H,11-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50370595 (OXYCODONE | Oxycontin | US1184575, oxycodone | US9...) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |TLB:20:21:16.5.6:8.11.10,THB:22:21:16.5.6:8.11.10| Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50370595 (OXYCODONE | Oxycontin | US1184575, oxycodone | US9...) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |TLB:20:21:16.5.6:8.11.10,THB:22:21:16.5.6:8.11.10| Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01127 BindingDB Entry DOI: 10.7270/Q2PC35ZC
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50548584 (CHEMBL4796605) Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(CCc2ccccc2)C1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	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 sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation count...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01127 BindingDB Entry DOI: 10.7270/Q2PC35ZC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50370595 (OXYCODONE | Oxycontin | US1184575, oxycodone | US9...) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |TLB:20:21:16.5.6:8.11.10,THB:22:21:16.5.6:8.11.10| Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00417 BindingDB Entry DOI: 10.7270/Q2HH6PX3
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50580823 (CHEMBL5094899) Show SMILES CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1cccc(F)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	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 transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00417 BindingDB Entry DOI: 10.7270/Q2HH6PX3
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50514273 (CHEMBL4516327) Show SMILES CC1(C)OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C24H30N2O2/c1-23(2)22(27)26(21-11-7-4-8-12-21)19-24(28-23)14-17-25(18-15-24)16-13-20-9-5-3-6-10-20/h3-12H,13-19H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50514256 (CHEMBL4439718) Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1cnccn1 Show InChI InChI=1S/C21H26N4O2/c1-17-20(26)25(19-15-22-10-11-23-19)16-21(27-17)8-13-24(14-9-21)12-7-18-5-3-2-4-6-18/h2-6,10-11,15,17H,7-9,12-14,16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50514265 (CHEMBL4439285) Show SMILES COCC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C24H30N2O3/c1-28-18-22-23(27)26(21-10-6-3-7-11-21)19-24(29-22)13-16-25(17-14-24)15-12-20-8-4-2-5-9-20/h2-11,22H,12-19H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50514268 (CHEMBL4578955) Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccn1 Show InChI InChI=1S/C22H27N3O2/c1-18-21(26)25(20-9-5-6-13-23-20)17-22(27-18)11-15-24(16-12-22)14-10-19-7-3-2-4-8-19/h2-9,13,18H,10-12,14-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50580830 (CHEMBL5070613) Show SMILES CCC(=O)N(CC1(CCOCC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00417 BindingDB Entry DOI: 10.7270/Q2HH6PX3
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50580816 (CHEMBL5084697) Show SMILES CCC(=O)N(CC(C)(C)N1CCN(Cc2ccccc2)CC1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	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 transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00417 BindingDB Entry DOI: 10.7270/Q2HH6PX3
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50514264 (CHEMBL4467749) Show SMILES C[C@@H]1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1 |r| Show InChI InChI=1S/C23H28N2O2/c1-19-22(26)25(21-10-6-3-7-11-21)18-23(27-19)13-16-24(17-14-23)15-12-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair

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