Compile Data Set for Download or QSAR

Found 84 hits with Last Name = 'pappalardo' and Initial = 'ms'   

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))	BDBM50534063 (CHEMBL4575464) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)NCC(c1ccccc1)c1ccccc1)[C@H]2C |r,THB:35:34:13.12.14:3.9.2| Show InChI InChI=1S/C31H36N2O2/c1-22-29-19-25-13-14-26(34)20-28(25)31(22,2)16-18-33(29)17-15-30(35)32-21-27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,20,22,27,29,34H,15-19,21H2,1-2H3,(H,32,35)/t22-,29+,31+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in HEK293 cells				Bioorg Med Chem 24: 5280-5290 (2016) Article DOI: 10.1016/j.bmc.2016.08.057 BindingDB Entry DOI: 10.7270/Q2SB497K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from rat KOR expressed in CHO cells				Bioorg Med Chem 24: 5280-5290 (2016) Article DOI: 10.1016/j.bmc.2016.08.057 BindingDB Entry DOI: 10.7270/Q2SB497K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in HEK293 cells				Bioorg Med Chem 24: 5280-5290 (2016) Article DOI: 10.1016/j.bmc.2016.08.057 BindingDB Entry DOI: 10.7270/Q2SB497K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50142692 (CHEMBL3759092) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1ccccc1)[C@H]2C |r,THB:8:9:26:12.14.13,15:14:26:3.9.2| Show InChI InChI=1S/C23H28N2O2/c1-16-21-14-17-8-9-19(26)15-20(17)23(16,2)11-13-25(21)12-10-22(27)24-18-6-4-3-5-7-18/h3-9,15-16,21,26H,10-14H2,1-2H3,(H,24,27)/t16-,21+,23+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in HEK293 cells				Bioorg Med Chem 24: 5280-5290 (2016) Article DOI: 10.1016/j.bmc.2016.08.057 BindingDB Entry DOI: 10.7270/Q2SB497K
					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	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes				J Med Chem 41: 1574-80 (1998) Article DOI: 10.1021/jm970333f BindingDB Entry DOI: 10.7270/Q2C24X3R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21008 ((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...) Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human DOR expressed in CHO cells				Bioorg Med Chem 24: 5280-5290 (2016) Article DOI: 10.1016/j.bmc.2016.08.057 BindingDB Entry DOI: 10.7270/Q2SB497K
					More data for this Ligand-Target Pair
D(2) dopamine receptor (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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]spiroperidol binding to Dopamine receptor D2 of rat striatal membranes				J Med Chem 41: 1574-80 (1998) Article DOI: 10.1021/jm970333f BindingDB Entry DOI: 10.7270/Q2C24X3R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50064196 ((2S,6R,11S)-6,11-Dimethyl-3-[2-(methyl-phenyl-amin...) Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN(C)c1ccccc1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C23H30N2O/c1-17-22-15-18-9-10-20(26)16-21(18)23(17,2)11-12-25(22)14-13-24(3)19-7-5-4-6-8-19/h4-10,16-17,22,26H,11-15H2,1-3H3/t17-,22+,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes				J Med Chem 41: 1574-80 (1998) Article DOI: 10.1021/jm970333f BindingDB Entry DOI: 10.7270/Q2C24X3R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50064195 ((2S,6R,11S)-6,11-Dimethyl-3-(2-phenylamino-ethyl)-...) Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCNc1ccccc1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C22H28N2O/c1-16-21-14-17-8-9-19(25)15-20(17)22(16,2)10-12-24(21)13-11-23-18-6-4-3-5-7-18/h3-9,15-16,21,23,25H,10-14H2,1-2H3/t16-,21+,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes				J Med Chem 41: 1574-80 (1998) Article DOI: 10.1021/jm970333f BindingDB Entry DOI: 10.7270/Q2C24X3R
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50534068 (CHEMBL4466859) Show SMILES COc1ccsc1CNCC[C@]1(CCC2(CCCC2)OC1)c1ccccn1 |r| Show InChI InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-14-12-21(20-6-2-5-13-24-20)10-11-22(26-17-21)8-3-4-9-22/h2,5-7,13,15,23H,3-4,8-12,14,16-17H2,1H3/t21-/m0/s1	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
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]Diprenorphine from human MOR expressed in HEK293 cell membranes by liquid scintillation counting				Bioorg Med Chem 24: 5280-5290 (2016) Article DOI: 10.1016/j.bmc.2016.08.057 BindingDB Entry DOI: 10.7270/Q2SB497K
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50035131 ((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...) Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes				J Med Chem 41: 1574-80 (1998) Article DOI: 10.1021/jm970333f BindingDB Entry DOI: 10.7270/Q2C24X3R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50064191 ((2S,6R,11S)-6,11-Dimethyl-3-(2-pyrrolidin-1-yl-eth...) Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCC1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C20H30N2O/c1-15-19-13-16-5-6-17(23)14-18(16)20(15,2)7-10-22(19)12-11-21-8-3-4-9-21/h5-6,14-15,19,23H,3-4,7-13H2,1-2H3/t15-,19+,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes				J Med Chem 41: 1574-80 (1998) Article DOI: 10.1021/jm970333f BindingDB Entry DOI: 10.7270/Q2C24X3R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50064193 ((2S,6R,11S)-6,11-Dimethyl-3-(2-piperidin-1-yl-ethy...) Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCCC1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C21H32N2O/c1-16-20-14-17-6-7-18(24)15-19(17)21(16,2)8-11-23(20)13-12-22-9-4-3-5-10-22/h6-7,15-16,20,24H,3-5,8-14H2,1-2H3/t16-,20+,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes				J Med Chem 41: 1574-80 (1998) Article DOI: 10.1021/jm970333f BindingDB Entry DOI: 10.7270/Q2C24X3R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50064188 ((2S,6R,11S)-6,11-Dimethyl-3-(2-morpholin-4-yl-ethy...) Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCOCC1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C20H30N2O2/c1-15-19-13-16-3-4-17(23)14-18(16)20(15,2)5-6-22(19)8-7-21-9-11-24-12-10-21/h3-4,14-15,19,23H,5-13H2,1-2H3/t15-,19+,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes				J Med Chem 41: 1574-80 (1998) Article DOI: 10.1021/jm970333f BindingDB Entry DOI: 10.7270/Q2C24X3R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50064190 ((2S,6R,11S)-3-(2-Diethylamino-ethyl)-6,11-dimethyl...) Show SMILES CCN(CC)CCN1CC[C@]2(C)[C@H](C)[C@@H]1Cc1ccc(O)cc21 |TLB:6:7:12:22.16.15| Show InChI InChI=1S/C20H32N2O/c1-5-21(6-2)11-12-22-10-9-20(4)15(3)19(22)13-16-7-8-17(23)14-18(16)20/h7-8,14-15,19,23H,5-6,9-13H2,1-4H3/t15-,19+,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes				J Med Chem 41: 1574-80 (1998) Article DOI: 10.1021/jm970333f BindingDB Entry DOI: 10.7270/Q2C24X3R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity for kappa opioid receptor in absence of 120 mM NaCl and 50 micro M Gpp(NH)p				J Med Chem 36: 1860-5 (1993) BindingDB Entry DOI: 10.7270/Q2SF2WTH
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50064187 ((2S,6R,11S)-3-(2-Azepan-1-yl-ethyl)-6,11-dimethyl-...) Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCCCC1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C22H34N2O/c1-17-21-15-18-7-8-19(25)16-20(18)22(17,2)9-12-24(21)14-13-23-10-5-3-4-6-11-23/h7-8,16-17,21,25H,3-6,9-15H2,1-2H3/t17-,21+,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes				J Med Chem 41: 1574-80 (1998) Article DOI: 10.1021/jm970333f BindingDB Entry DOI: 10.7270/Q2C24X3R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50064189 ((2S,6R,11S)-3-(2-Dimethylamino-ethyl)-6,11-dimethy...) Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN(C)C |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C18H28N2O/c1-13-17-11-14-5-6-15(21)12-16(14)18(13,2)7-8-20(17)10-9-19(3)4/h5-6,12-13,17,21H,7-11H2,1-4H3/t13-,17+,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes				J Med Chem 41: 1574-80 (1998) Article DOI: 10.1021/jm970333f BindingDB Entry DOI: 10.7270/Q2C24X3R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity for kappa opioid receptor in absence of 120 mM NaCl and 50 micro M Gpp(NH)p				J Med Chem 36: 1860-5 (1993) BindingDB Entry DOI: 10.7270/Q2SF2WTH
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50142692 (CHEMBL3759092) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1ccccc1)[C@H]2C |r,THB:8:9:26:12.14.13,15:14:26:3.9.2| Show InChI InChI=1S/C23H28N2O2/c1-16-21-14-17-8-9-19(26)15-20(17)23(16,2)11-13-25(21)12-10-22(27)24-18-6-4-3-5-7-18/h3-9,15-16,21,26H,10-14H2,1-2H3,(H,24,27)/t16-,21+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human DOR expressed in CHO cells				Bioorg Med Chem 24: 5280-5290 (2016) Article DOI: 10.1016/j.bmc.2016.08.057 BindingDB Entry DOI: 10.7270/Q2SB497K
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50064197 ((2S,6R,11S)-3-(2-Benzylamino-ethyl)-6,11-dimethyl-...) Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCNCc1ccccc1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C23H30N2O/c1-17-22-14-19-8-9-20(26)15-21(19)23(17,2)10-12-25(22)13-11-24-16-18-6-4-3-5-7-18/h3-9,15,17,22,24,26H,10-14,16H2,1-2H3/t17-,22+,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes				J Med Chem 41: 1574-80 (1998) Article DOI: 10.1021/jm970333f BindingDB Entry DOI: 10.7270/Q2C24X3R
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity for mu opioid receptor was evaluated by displacing [3H]- diprenorphine				J Med Chem 36: 1860-5 (1993) BindingDB Entry DOI: 10.7270/Q2SF2WTH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50064194 ((2S,6R,11S)-3-(2-Cyclohexylamino-ethyl)-6,11-dimet...) Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCNC1CCCCC1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C22H34N2O/c1-16-21-14-17-8-9-19(25)15-20(17)22(16,2)10-12-24(21)13-11-23-18-6-4-3-5-7-18/h8-9,15-16,18,21,23,25H,3-7,10-14H2,1-2H3/t16-,21+,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes				J Med Chem 41: 1574-80 (1998) Article DOI: 10.1021/jm970333f BindingDB Entry DOI: 10.7270/Q2C24X3R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50064192 ((2S,6R,11S)-3-[2-(Ethyl-phenyl-amino)-ethyl]-6,11-...) Show SMILES CCN(CCN1CC[C@]2(C)[C@H](C)[C@@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:4:5:10:20.14.13| Show InChI InChI=1S/C24H32N2O/c1-4-25(20-8-6-5-7-9-20)14-15-26-13-12-24(3)18(2)23(26)16-19-10-11-21(27)17-22(19)24/h5-11,17-18,23,27H,4,12-16H2,1-3H3/t18-,23+,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes				J Med Chem 41: 1574-80 (1998) Article DOI: 10.1021/jm970333f BindingDB Entry DOI: 10.7270/Q2C24X3R
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50534064 (CHEMBL4442357) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)NC(c1ccccc1)c1ccccc1)[C@H]2C |r,THB:34:33:9.2.3:13.12.14| Show InChI InChI=1S/C30H34N2O2/c1-21-27-19-24-13-14-25(33)20-26(24)30(21,2)16-18-32(27)17-15-28(34)31-29(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,20-21,27,29,33H,15-19H2,1-2H3,(H,31,34)/t21-,27+,30+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in HEK293 cells				Bioorg Med Chem 24: 5280-5290 (2016) Article DOI: 10.1016/j.bmc.2016.08.057 BindingDB Entry DOI: 10.7270/Q2SB497K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50534065 (CHEMBL4545050) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)N1CCc3ccccc3C1c1ccccc1)[C@H]2C |r,THB:36:35:3.9.2:12.13.14| Show InChI InChI=1S/C32H36N2O2/c1-22-29-20-25-12-13-26(35)21-28(25)32(22,2)16-19-33(29)17-15-30(36)34-18-14-23-8-6-7-11-27(23)31(34)24-9-4-3-5-10-24/h3-13,21-22,29,31,35H,14-20H2,1-2H3/t22-,29+,31?,32+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in HEK293 cells				Bioorg Med Chem 24: 5280-5290 (2016) Article DOI: 10.1016/j.bmc.2016.08.057 BindingDB Entry DOI: 10.7270/Q2SB497K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50142692 (CHEMBL3759092) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1ccccc1)[C@H]2C |r,THB:8:9:26:12.14.13,15:14:26:3.9.2| Show InChI InChI=1S/C23H28N2O2/c1-16-21-14-17-8-9-19(26)15-20(17)23(16,2)11-13-25(21)12-10-22(27)24-18-6-4-3-5-7-18/h3-9,15-16,21,26H,10-14H2,1-2H3,(H,24,27)/t16-,21+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from rat KOR expressed in CHO cells				Bioorg Med Chem 24: 5280-5290 (2016) Article DOI: 10.1016/j.bmc.2016.08.057 BindingDB Entry DOI: 10.7270/Q2SB497K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50534067 (CHEMBL4453773) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)N(C)C(c1ccccc1)c1ccccc1)[C@H]2C |r,THB:35:34:3.9.2:12.13.14| Show InChI InChI=1S/C31H36N2O2/c1-22-28-20-25-14-15-26(34)21-27(25)31(22,2)17-19-33(28)18-16-29(35)32(3)30(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-15,21-22,28,30,34H,16-20H2,1-3H3/t22-,28+,31+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in HEK293 cells				Bioorg Med Chem 24: 5280-5290 (2016) Article DOI: 10.1016/j.bmc.2016.08.057 BindingDB Entry DOI: 10.7270/Q2SB497K
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50368882 (CHEMBL147585 | SK&F-10047 | SK-10047) Show SMILES CC1C2Cc3ccc(O)cc3C1CCN2CC=C |TLB:0:1:10.4.3:14.12.13,15:14:1:10.4.3,THB:9:10:1:14.12.13| Show InChI InChI=1S/C16H21NO/c1-3-7-17-8-6-14-11(2)16(17)9-12-4-5-13(18)10-15(12)14/h3-5,10-11,14,16,18H,1,6-9H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	169	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes				J Med Chem 41: 1574-80 (1998) Article DOI: 10.1021/jm970333f BindingDB Entry DOI: 10.7270/Q2C24X3R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50045114 (3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,...) Show SMILES CCC12CCN(CC3CC3)C(C1C)C(=O)c1ccc(O)cc21 |TLB:6:5:11:15.21.13,14:13:11:5.4.3,THB:20:21:11:5.4.3| Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity for kappa opioid receptor was evaluated by displacing [3H]- diprenorphine				J Med Chem 36: 1860-5 (1993) BindingDB Entry DOI: 10.7270/Q2SF2WTH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50534063 (CHEMBL4575464) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)NCC(c1ccccc1)c1ccccc1)[C@H]2C |r,THB:35:34:13.12.14:3.9.2| Show InChI InChI=1S/C31H36N2O2/c1-22-29-19-25-13-14-26(34)20-28(25)31(22,2)16-18-33(29)17-15-30(35)32-21-27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,20,22,27,29,34H,15-19,21H2,1-2H3,(H,32,35)/t22-,29+,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from rat KOR expressed in CHO cells				Bioorg Med Chem 24: 5280-5290 (2016) Article DOI: 10.1016/j.bmc.2016.08.057 BindingDB Entry DOI: 10.7270/Q2SB497K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	204	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity for kappa opioid receptor in presence of 120 mM NaCl and 50 micro M Gpp(NH)p				J Med Chem 36: 1860-5 (1993) BindingDB Entry DOI: 10.7270/Q2SF2WTH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50045115 (2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...) Show SMILES COC(=O)[C@@]1(C[C@H]1CN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:7:8:13:23.17.16| Show InChI InChI=1S/C26H31NO3/c1-17-23-13-18-9-10-21(28)14-22(18)25(17,2)11-12-27(23)16-20-15-26(20,24(29)30-3)19-7-5-4-6-8-19/h4-10,14,17,20,23,28H,11-13,15-16H2,1-3H3/t17-,20-,23+,25+,26-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	224	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity for kappa opioid receptor was evaluated by displacing [3H]- diprenorphine				J Med Chem 36: 1860-5 (1993) BindingDB Entry DOI: 10.7270/Q2SF2WTH
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	238	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]N-methylscopolamine binding to Muscarinic acetylcholine receptor M2 of rat heart membranes				J Med Chem 41: 1574-80 (1998) Article DOI: 10.1021/jm970333f BindingDB Entry DOI: 10.7270/Q2C24X3R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50045115 (2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...) Show SMILES COC(=O)[C@@]1(C[C@H]1CN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:7:8:13:23.17.16| Show InChI InChI=1S/C26H31NO3/c1-17-23-13-18-9-10-21(28)14-22(18)25(17,2)11-12-27(23)16-20-15-26(20,24(29)30-3)19-7-5-4-6-8-19/h4-10,14,17,20,23,28H,11-13,15-16H2,1-3H3/t17-,20-,23+,25+,26-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity for kappa opioid receptor was evaluated by displacing [3H]- diprenorphine				J Med Chem 36: 1860-5 (1993) BindingDB Entry DOI: 10.7270/Q2SF2WTH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50534067 (CHEMBL4453773) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)N(C)C(c1ccccc1)c1ccccc1)[C@H]2C |r,THB:35:34:3.9.2:12.13.14| Show InChI InChI=1S/C31H36N2O2/c1-22-28-20-25-14-15-26(34)21-27(25)31(22,2)17-19-33(28)18-16-29(35)32(3)30(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-15,21-22,28,30,34H,16-20H2,1-3H3/t22-,28+,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from rat KOR expressed in CHO cells				Bioorg Med Chem 24: 5280-5290 (2016) Article DOI: 10.1016/j.bmc.2016.08.057 BindingDB Entry DOI: 10.7270/Q2SB497K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50534066 (CHEMBL4562025) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)N1CCc3ccccc3[C@@H]1c1ccccc1)[C@H]2C |r,THB:36:35:3.9.2:12.13.14| Show InChI InChI=1S/C32H36N2O2/c1-22-29-20-25-12-13-26(35)21-28(25)32(22,2)16-19-33(29)17-15-30(36)34-18-14-23-8-6-7-11-27(23)31(34)24-9-4-3-5-10-24/h3-13,21-22,29,31,35H,14-20H2,1-2H3/t22-,29+,31-,32+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in HEK293 cells				Bioorg Med Chem 24: 5280-5290 (2016) Article DOI: 10.1016/j.bmc.2016.08.057 BindingDB Entry DOI: 10.7270/Q2SB497K
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50064188 ((2S,6R,11S)-6,11-Dimethyl-3-(2-morpholin-4-yl-ethy...) Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCOCC1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C20H30N2O2/c1-15-19-13-16-3-4-17(23)14-18(16)20(15,2)5-6-22(19)8-7-21-9-11-24-12-10-21/h3-4,14-15,19,23H,5-13H2,1-2H3/t15-,19+,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	419	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]N-methylscopolamine binding to Muscarinic acetylcholine receptor M2 of rat heart membranes				J Med Chem 41: 1574-80 (1998) Article DOI: 10.1021/jm970333f BindingDB Entry DOI: 10.7270/Q2C24X3R
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50534063 (CHEMBL4575464) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)NCC(c1ccccc1)c1ccccc1)[C@H]2C |r,THB:35:34:13.12.14:3.9.2| Show InChI InChI=1S/C31H36N2O2/c1-22-29-19-25-13-14-26(34)20-28(25)31(22,2)16-18-33(29)17-15-30(35)32-21-27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,20,22,27,29,34H,15-19,21H2,1-2H3,(H,32,35)/t22-,29+,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human DOR expressed in CHO cells				Bioorg Med Chem 24: 5280-5290 (2016) Article DOI: 10.1016/j.bmc.2016.08.057 BindingDB Entry DOI: 10.7270/Q2SB497K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50534062 (CHEMBL4464491) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)N1CCc3ccccc3[C@H]1c1ccccc1)[C@H]2C |r,THB:36:35:3.9.2:12.13.14| Show InChI InChI=1S/C32H36N2O2/c1-22-29-20-25-12-13-26(35)21-28(25)32(22,2)16-19-33(29)17-15-30(36)34-18-14-23-8-6-7-11-27(23)31(34)24-9-4-3-5-10-24/h3-13,21-22,29,31,35H,14-20H2,1-2H3/t22-,29+,31+,32+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in HEK293 cells				Bioorg Med Chem 24: 5280-5290 (2016) Article DOI: 10.1016/j.bmc.2016.08.057 BindingDB Entry DOI: 10.7270/Q2SB497K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50534064 (CHEMBL4442357) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)NC(c1ccccc1)c1ccccc1)[C@H]2C |r,THB:34:33:9.2.3:13.12.14| Show InChI InChI=1S/C30H34N2O2/c1-21-27-19-24-13-14-25(33)20-26(24)30(21,2)16-18-32(27)17-15-28(34)31-29(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,20-21,27,29,33H,15-19H2,1-2H3,(H,31,34)/t21-,27+,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from rat KOR expressed in CHO cells				Bioorg Med Chem 24: 5280-5290 (2016) Article DOI: 10.1016/j.bmc.2016.08.057 BindingDB Entry DOI: 10.7270/Q2SB497K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50045114 (3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,...) Show SMILES CCC12CCN(CC3CC3)C(C1C)C(=O)c1ccc(O)cc21 |TLB:6:5:11:15.21.13,14:13:11:5.4.3,THB:20:21:11:5.4.3| Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity for mu opioid receptor was evaluated by displacing [3H]- diprenorphine				J Med Chem 36: 1860-5 (1993) BindingDB Entry DOI: 10.7270/Q2SF2WTH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50045117 (6,11-Dimethyl-3-(3-phenyl-propyl)-1,2,3,4,5,6-hexa...) Show SMILES CC1C2Cc3ccc(O)cc3[C@]1(C)CCN2CCCc1ccccc1 |TLB:9:10:1:15.13.14,16:15:1:10.4.3| Show InChI InChI=1S/C23H29NO/c1-17-22-15-19-10-11-20(25)16-21(19)23(17,2)12-14-24(22)13-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-11,16-17,22,25H,6,9,12-15H2,1-2H3/t17?,22?,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	825	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity for mu opioid receptor was evaluated by displacing [3H]- diprenorphine				J Med Chem 36: 1860-5 (1993) BindingDB Entry DOI: 10.7270/Q2SF2WTH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50045116 (2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...) Show SMILES COC(=O)[C@@]1(C[C@@H]1CN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:7:8:13:23.17.16| Show InChI InChI=1S/C26H31NO3/c1-17-23-13-18-9-10-21(28)14-22(18)25(17,2)11-12-27(23)16-20-15-26(20,24(29)30-3)19-7-5-4-6-8-19/h4-10,14,17,20,23,28H,11-13,15-16H2,1-3H3/t17-,20+,23+,25+,26-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	833	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity for kappa opioid receptor in presence of 120 mM NaCl and 50 micro M Gpp(NH)p				J Med Chem 36: 1860-5 (1993) BindingDB Entry DOI: 10.7270/Q2SF2WTH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50045116 (2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...) Show SMILES COC(=O)[C@@]1(C[C@@H]1CN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:7:8:13:23.17.16| Show InChI InChI=1S/C26H31NO3/c1-17-23-13-18-9-10-21(28)14-22(18)25(17,2)11-12-27(23)16-20-15-26(20,24(29)30-3)19-7-5-4-6-8-19/h4-10,14,17,20,23,28H,11-13,15-16H2,1-3H3/t17-,20+,23+,25+,26-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	866	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity for kappa opioid receptor was evaluated by displacing [3H]- diprenorphine				J Med Chem 36: 1860-5 (1993) BindingDB Entry DOI: 10.7270/Q2SF2WTH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50534066 (CHEMBL4562025) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)N1CCc3ccccc3[C@@H]1c1ccccc1)[C@H]2C |r,THB:36:35:3.9.2:12.13.14| Show InChI InChI=1S/C32H36N2O2/c1-22-29-20-25-12-13-26(35)21-28(25)32(22,2)16-19-33(29)17-15-30(36)34-18-14-23-8-6-7-11-27(23)31(34)24-9-4-3-5-10-24/h3-13,21-22,29,31,35H,14-20H2,1-2H3/t22-,29+,31-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from rat KOR expressed in CHO cells				Bioorg Med Chem 24: 5280-5290 (2016) Article DOI: 10.1016/j.bmc.2016.08.057 BindingDB Entry DOI: 10.7270/Q2SB497K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50045115 (2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...) Show SMILES COC(=O)[C@@]1(C[C@H]1CN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:7:8:13:23.17.16| Show InChI InChI=1S/C26H31NO3/c1-17-23-13-18-9-10-21(28)14-22(18)25(17,2)11-12-27(23)16-20-15-26(20,24(29)30-3)19-7-5-4-6-8-19/h4-10,14,17,20,23,28H,11-13,15-16H2,1-3H3/t17-,20-,23+,25+,26-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	926	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity for kappa opioid receptor in absence of 120 mM NaCl and 50 micro M Gpp(NH)p				J Med Chem 36: 1860-5 (1993) BindingDB Entry DOI: 10.7270/Q2SF2WTH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50045117 (6,11-Dimethyl-3-(3-phenyl-propyl)-1,2,3,4,5,6-hexa...) Show SMILES CC1C2Cc3ccc(O)cc3[C@]1(C)CCN2CCCc1ccccc1 |TLB:9:10:1:15.13.14,16:15:1:10.4.3| Show InChI InChI=1S/C23H29NO/c1-17-22-15-19-10-11-20(25)16-21(19)23(17,2)12-14-24(22)13-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-11,16-17,22,25H,6,9,12-15H2,1-2H3/t17?,22?,23-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity for kappa opioid receptor was evaluated by displacing [3H]- diprenorphine				J Med Chem 36: 1860-5 (1993) BindingDB Entry DOI: 10.7270/Q2SF2WTH
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50534067 (CHEMBL4453773) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)N(C)C(c1ccccc1)c1ccccc1)[C@H]2C |r,THB:35:34:3.9.2:12.13.14| Show InChI InChI=1S/C31H36N2O2/c1-22-28-20-25-14-15-26(34)21-27(25)31(22,2)17-19-33(28)18-16-29(35)32(3)30(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-15,21-22,28,30,34H,16-20H2,1-3H3/t22-,28+,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human DOR expressed in CHO cells				Bioorg Med Chem 24: 5280-5290 (2016) Article DOI: 10.1016/j.bmc.2016.08.057 BindingDB Entry DOI: 10.7270/Q2SB497K
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50064187 ((2S,6R,11S)-3-(2-Azepan-1-yl-ethyl)-6,11-dimethyl-...) Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCCCC1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C22H34N2O/c1-17-21-15-18-7-8-19(25)16-20(18)22(17,2)9-12-24(21)14-13-23-10-5-3-4-6-11-23/h7-8,16-17,21,25H,3-6,9-15H2,1-2H3/t17-,21+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]N-methylscopolamine binding to Muscarinic acetylcholine receptor M2 of rat heart membranes				J Med Chem 41: 1574-80 (1998) Article DOI: 10.1021/jm970333f BindingDB Entry DOI: 10.7270/Q2C24X3R
					More data for this Ligand-Target Pair

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