Compile Data Set for Download or QSAR

Found 7242 hits with Last Name = 'ji' and Initial = 'r'   

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 (MOUSE)	BDBM50033531 (CHEMBL333410 | N-[1-(2-Hydroxy-2-phenyl-ethyl)-3-m...) Show SMILES CCC(=O)N(C1CCN(CC(O)c2ccccc2)CC1C)c1ccccc1 Show InChI InChI=1S/C23H30N2O2/c1-3-23(27)25(20-12-8-5-9-13-20)21-14-15-24(16-18(21)2)17-22(26)19-10-6-4-7-11-19/h4-13,18,21-22,26H,3,14-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid UniChem Similars	PubMed	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition against Opioid receptor mu 1 using [3H]- DAMGO radioligand.				J Med Chem 38: 3652-9 (1995) BindingDB Entry DOI: 10.7270/Q2BP01V7
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50170654 ((+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)...) Show SMILES CC(CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin School of Medicine and Public Health Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor in guinea pig brain microsomes				Bioorg Med Chem 18: 4397-404 (2010) Article DOI: 10.1016/j.bmc.2010.04.078 BindingDB Entry DOI: 10.7270/Q20C4VZT
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50170654 ((+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)...) Show SMILES CC(CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	0.0110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin School of Medicine and Public Health Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor in guinea pig liver microsomes				Bioorg Med Chem 18: 4397-404 (2010) Article DOI: 10.1016/j.bmc.2010.04.078 BindingDB Entry DOI: 10.7270/Q20C4VZT
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50347177 (CHEMBL1797687) Show SMILES CCC12CCN(CC3(O)CC3)[C@H](Cc3ccc(O)cc13)C2(C)C |r,THB:6:5:20:19.13.12| Show InChI InChI=1S/C20H29NO2/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20,2)3)11-14-5-6-15(22)12-16(14)20/h5-6,12,17,22-23H,4,7-11,13H2,1-3H3/t17-,20?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum homogenate by scintillation counting				Bioorg Med Chem Lett 21: 4104-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.147 BindingDB Entry DOI: 10.7270/Q25M66P3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50347179 (CHEMBL1797689) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1 |r| Show InChI InChI=1S/C20H25NO3/c22-15-4-3-14-9-18-20(24)6-5-16(23)11-19(20,17(14)10-15)7-8-21(18)12-13-1-2-13/h3-4,10,13,18,22,24H,1-2,5-9,11-12H2/t18-,19-,20-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum homogenate by scintillation counting				Bioorg Med Chem Lett 21: 4104-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.147 BindingDB Entry DOI: 10.7270/Q25M66P3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50033533 (CHEMBL121403 | N-[(3R,4R)-1-((S)-2-Hydroxy-2-pheny...) Show SMILES CCC(=O)N([C@@H]1CCN(C[C@@H](O)c2ccccc2)C[C@H]1C)c1ccccc1 Show InChI InChI=1S/C23H30N2O2/c1-3-23(27)25(20-12-8-5-9-13-20)21-14-15-24(16-18(21)2)17-22(26)19-10-6-4-7-11-19/h4-13,18,21-22,26H,3,14-17H2,1-2H3/t18-,21-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition against Opioid receptor mu 1 using [3H]- DAMGO radioligand.				J Med Chem 38: 3652-9 (1995) BindingDB Entry DOI: 10.7270/Q2BP01V7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50033534 (CHEMBL338510 | N-[(3S,4S)-1-((S)-2-Hydroxy-2-pheny...) Show SMILES CCC(=O)N([C@H]1CCN(C[C@@H](O)c2ccccc2)C[C@@H]1C)c1ccccc1 Show InChI InChI=1S/C23H30N2O2/c1-3-23(27)25(20-12-8-5-9-13-20)21-14-15-24(16-18(21)2)17-22(26)19-10-6-4-7-11-19/h4-13,18,21-22,26H,3,14-17H2,1-2H3/t18-,21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition against Opioid receptor mu 1 using [3H]- DAMGO radioligand.				J Med Chem 38: 3652-9 (1995) BindingDB Entry DOI: 10.7270/Q2BP01V7
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50170654 ((+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)...) Show SMILES CC(CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin School of Medicine and Public Health Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor expressed in Saccharomyces cerevisiae WA0				Bioorg Med Chem 18: 4397-404 (2010) Article DOI: 10.1016/j.bmc.2010.04.078 BindingDB Entry DOI: 10.7270/Q20C4VZT
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50118178 (CHEMBL3613172) Show SMILES Cl.[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@H]1N(C)C(=O)CCc1ccccc1)c1cc(O)ccc1C[C@@]34C2 |r| Show InChI InChI=1S/C32H40N2O2.ClH/c1-33(30(36)14-9-22-5-3-2-4-6-22)28-20-31-15-16-34(21-23-7-8-23)29-13-11-25(28)19-32(29,31)18-24-10-12-26(35)17-27(24)31;/h2-6,10,12,17,23,25,28-29,35H,7-9,11,13-16,18-21H2,1H3;1H/t25-,28-,29+,31-,32-;/m1./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tsukuba Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from KOR in mouse whole brain membranes without cerebellum				Bioorg Med Chem 23: 6271-9 (2015) Article DOI: 10.1016/j.bmc.2015.08.036 BindingDB Entry DOI: 10.7270/Q2V126M1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50033536 (CHEMBL121494 | N-[(3R,4R)-1-((R)-2-Hydroxy-2-pheny...) Show SMILES CCC(=O)N([C@@H]1CCN(C[C@H](O)c2ccccc2)C[C@H]1C)c1ccccc1 Show InChI InChI=1S/C23H30N2O2/c1-3-23(27)25(20-12-8-5-9-13-20)21-14-15-24(16-18(21)2)17-22(26)19-10-6-4-7-11-19/h4-13,18,21-22,26H,3,14-17H2,1-2H3/t18-,21-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition against Opioid receptor mu 1 using [3H]- DAMGO radioligand.				J Med Chem 38: 3652-9 (1995) BindingDB Entry DOI: 10.7270/Q2BP01V7
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50118191 (CHEMBL3613173) Show SMILES Cl.[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@H]1N(C)C(=O)Cc1ccccc1)c1cc(O)ccc1C[C@@]34C2 |r| Show InChI InChI=1S/C31H38N2O2.ClH/c1-32(29(35)15-21-5-3-2-4-6-21)27-19-30-13-14-33(20-22-7-8-22)28-12-10-24(27)18-31(28,30)17-23-9-11-25(34)16-26(23)30;/h2-6,9,11,16,22,24,27-28,34H,7-8,10,12-15,17-20H2,1H3;1H/t24-,27-,28+,30-,31-;/m1./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.136	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tsukuba Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from KOR in mouse whole brain membranes without cerebellum				Bioorg Med Chem 23: 6271-9 (2015) Article DOI: 10.1016/j.bmc.2015.08.036 BindingDB Entry DOI: 10.7270/Q2V126M1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50347179 (CHEMBL1797689) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1 |r| Show InChI InChI=1S/C20H25NO3/c22-15-4-3-14-9-18-20(24)6-5-16(23)11-19(20,17(14)10-15)7-8-21(18)12-13-1-2-13/h3-4,10,13,18,22,24H,1-2,5-9,11-12H2/t18-,19-,20-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain homogenate by scintillation counting				Bioorg Med Chem Lett 21: 4104-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.147 BindingDB Entry DOI: 10.7270/Q25M66P3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50494888 (CHEMBL4296733) Show SMILES Cl.Cl.[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:6:5:30:15.14.13,THB:10:11:30:15.14.13| Show InChI InChI=1S/C25H26N2O2.2ClH/c1-2-27-10-9-24-15-22-18(11-17-5-3-4-6-21(17)26-22)14-25(24,29)23(27)12-16-7-8-19(28)13-20(16)24;;/h3-8,11,13,23,28-29H,2,9-10,12,14-15H2,1H3;2*1H/t23-,24-,25-;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from delta opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting a...				Bioorg Med Chem 21: 7628-47 (2013) Article DOI: 10.1016/j.bmc.2013.10.032 BindingDB Entry DOI: 10.7270/Q2VM4G71
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50329100 (CHEMBL1270475) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5nc6ccccc6cc5C[C@@]34O)c2c1 |r,THB:8:7:27:4.29.5| Show InChI InChI=1S/C27H28N2O2/c30-21-8-7-18-12-25-27(31)14-20-11-19-3-1-2-4-23(19)28-24(20)15-26(27,22(18)13-21)9-10-29(25)16-17-5-6-17/h1-4,7-8,11,13,17,25,30-31H,5-6,9-10,12,14-16H2/t25-,26-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.143	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from delta opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting a...				Bioorg Med Chem 21: 7628-47 (2013) Article DOI: 10.1016/j.bmc.2013.10.032 BindingDB Entry DOI: 10.7270/Q2VM4G71
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50033530 (CHEMBL121211 | N-[(3S,4S)-1-((R)-2-Hydroxy-2-pheny...) Show SMILES CCC(=O)N([C@H]1CCN(C[C@H](O)c2ccccc2)C[C@@H]1C)c1ccccc1 Show InChI InChI=1S/C23H30N2O2/c1-3-23(27)25(20-12-8-5-9-13-20)21-14-15-24(16-18(21)2)17-22(26)19-10-6-4-7-11-19/h4-13,18,21-22,26H,3,14-17H2,1-2H3/t18-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition against Opioid receptor mu 1 using [3H]- DAMGO radioligand.				J Med Chem 38: 3652-9 (1995) BindingDB Entry DOI: 10.7270/Q2BP01V7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50033530 (CHEMBL121211 | N-[(3S,4S)-1-((R)-2-Hydroxy-2-pheny...) Show SMILES CCC(=O)N([C@H]1CCN(C[C@H](O)c2ccccc2)C[C@@H]1C)c1ccccc1 Show InChI InChI=1S/C23H30N2O2/c1-3-23(27)25(20-12-8-5-9-13-20)21-14-15-24(16-18(21)2)17-22(26)19-10-6-4-7-11-19/h4-13,18,21-22,26H,3,14-17H2,1-2H3/t18-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition against Opioid receptor mu 1 using [3H]- DAMGO radioligand.				J Med Chem 38: 3652-9 (1995) BindingDB Entry DOI: 10.7270/Q2BP01V7
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50329095 (CHEMBL1270282) Show SMILES CN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:17:21.27.20| Show InChI InChI=1S/C24H24N2O2/c1-26-9-8-23-14-21-17(10-16-4-2-3-5-20(16)25-21)13-24(23,28)22(26)11-15-6-7-18(27)12-19(15)23/h2-7,10,12,22,27-28H,8-9,11,13-14H2,1H3/t22-,23-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from delta opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting a...				Bioorg Med Chem 21: 7628-47 (2013) Article DOI: 10.1016/j.bmc.2013.10.032 BindingDB Entry DOI: 10.7270/Q2VM4G71
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50347178 (CHEMBL1797688) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)C1(O)CC[C@@]35OC1 |r| Show InChI InChI=1S/C21H25NO4/c23-14-4-3-13-9-15-21-6-5-19(24,11-25-21)18-20(21,16(13)17(14)26-18)7-8-22(15)10-12-1-2-12/h3-4,12,15,18,23-24H,1-2,5-11H2/t15-,18?,19?,20+,21-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain homogenate by scintillation counting				Bioorg Med Chem Lett 21: 4104-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.147 BindingDB Entry DOI: 10.7270/Q25M66P3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50494882 (CHEMBL4296730) Show SMILES Cl.Cl.[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CCC)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:6:5:31:15.14.13,THB:10:11:31:15.14.13| Show InChI InChI=1S/C26H28N2O2.2ClH/c1-2-10-28-11-9-25-16-23-19(12-18-5-3-4-6-22(18)27-23)15-26(25,30)24(28)13-17-7-8-20(29)14-21(17)25;;/h3-8,12,14,24,29-30H,2,9-11,13,15-16H2,1H3;2*1H/t24-,25-,26-;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.162	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from delta opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting a...				Bioorg Med Chem 21: 7628-47 (2013) Article DOI: 10.1016/j.bmc.2013.10.032 BindingDB Entry DOI: 10.7270/Q2VM4G71
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50274347 ((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...) Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19| Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tsukuba Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from KOR in mouse whole brain membranes without cerebellum				Bioorg Med Chem 23: 6271-9 (2015) Article DOI: 10.1016/j.bmc.2015.08.036 BindingDB Entry DOI: 10.7270/Q2V126M1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Delta-type opioid receptor (MOUSE)	BDBM50118177 (CHEMBL3613171) Show SMILES Cl.[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@H]1N(C)C(=O)\C=C\c1ccoc1)c1cc(O)ccc1C[C@@]34C2 |r| Show InChI InChI=1S/C30H36N2O3.ClH/c1-31(28(34)9-4-21-10-13-35-19-21)26-17-29-11-12-32(18-20-2-3-20)27-8-6-23(26)16-30(27,29)15-22-5-7-24(33)14-25(22)29;/h4-5,7,9-10,13-14,19-20,23,26-27,33H,2-3,6,8,11-12,15-18H2,1H3;1H/b9-4+;/t23-,26-,27+,29-,30-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.182	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tsukuba Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from DOR in mouse whole brain membranes without cerebellum				Bioorg Med Chem 23: 6271-9 (2015) Article DOI: 10.1016/j.bmc.2015.08.036 BindingDB Entry DOI: 10.7270/Q2V126M1
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30369 (piperidinyl glycine derivative, 24f) Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)C)C(O)=O |r| Show InChI InChI=1S/C23H30N2O7S2/c1-4-31-18-7-5-16(6-8-18)19-9-10-20(33-19)34(29,30)24-21(22(26)27)17-11-13-25(14-12-17)23(28)32-15(2)3/h5-10,15,17,21,24H,4,11-14H2,1-3H3,(H,26,27)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	0.190	-54.9	0.5	n/a	n/a	n/a	n/a	7.5	22
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (GUINEA PIG)	BDBM50118191 (CHEMBL3613173) Show SMILES Cl.[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@H]1N(C)C(=O)Cc1ccccc1)c1cc(O)ccc1C[C@@]34C2 |r| Show InChI InChI=1S/C31H38N2O2.ClH/c1-32(29(35)15-21-5-3-2-4-6-21)27-19-30-13-14-33(20-22-7-8-22)28-12-10-24(27)18-31(28,30)17-23-9-11-25(34)16-26(23)30;/h2-6,9,11,16,22,24,27-28,34H,7-8,10,12-15,17-20H2,1H3;1H/t24-,27-,28+,30-,31-;/m1./s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.197	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tsukuba Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in guinea pig cerebellum membranes				Bioorg Med Chem 23: 6271-9 (2015) Article DOI: 10.1016/j.bmc.2015.08.036 BindingDB Entry DOI: 10.7270/Q2V126M1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50347177 (CHEMBL1797687) Show SMILES CCC12CCN(CC3(O)CC3)[C@H](Cc3ccc(O)cc13)C2(C)C |r,THB:6:5:20:19.13.12| Show InChI InChI=1S/C20H29NO2/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20,2)3)11-14-5-6-15(22)12-16(14)20/h5-6,12,17,22-23H,4,7-11,13H2,1-3H3/t17-,20?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain homogenate by scintillation counting				Bioorg Med Chem Lett 21: 4104-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.147 BindingDB Entry DOI: 10.7270/Q25M66P3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50118177 (CHEMBL3613171) Show SMILES Cl.[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@H]1N(C)C(=O)\C=C\c1ccoc1)c1cc(O)ccc1C[C@@]34C2 |r| Show InChI InChI=1S/C30H36N2O3.ClH/c1-31(28(34)9-4-21-10-13-35-19-21)26-17-29-11-12-32(18-20-2-3-20)27-8-6-23(26)16-30(27,29)15-22-5-7-24(33)14-25(22)29;/h4-5,7,9-10,13-14,19-20,23,26-27,33H,2-3,6,8,11-12,15-18H2,1H3;1H/b9-4+;/t23-,26-,27+,29-,30-;/m1./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.204	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tsukuba Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from KOR in mouse whole brain membranes without cerebellum				Bioorg Med Chem 23: 6271-9 (2015) Article DOI: 10.1016/j.bmc.2015.08.036 BindingDB Entry DOI: 10.7270/Q2V126M1
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50494879 (CHEMBL4296729) Show SMILES Cl.Cl.[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1(O)CC1)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:6:5:33:15.14.13,THB:10:11:33:15.14.13| Show InChI InChI=1S/C27H28N2O3.2ClH/c30-20-6-5-17-12-24-27(32)14-19-11-18-3-1-2-4-22(18)28-23(19)15-26(27,21(17)13-20)9-10-29(24)16-25(31)7-8-25;;/h1-6,11,13,24,30-32H,7-10,12,14-16H2;2*1H/t24-,26-,27-;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.208	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from delta opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting a...				Bioorg Med Chem 21: 7628-47 (2013) Article DOI: 10.1016/j.bmc.2013.10.032 BindingDB Entry DOI: 10.7270/Q2VM4G71
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50494890 (CHEMBL4296726) Show SMILES Cl.Cl.[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1Cc1ccco1)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:6:5:34:15.14.13,THB:10:11:34:15.14.13| Show InChI InChI=1S/C28H26N2O3.2ClH/c31-21-8-7-18-13-26-28(32)15-20-12-19-4-1-2-6-24(19)29-25(20)16-27(28,23(18)14-21)9-10-30(26)17-22-5-3-11-33-22;;/h1-8,11-12,14,26,31-32H,9-10,13,15-17H2;2*1H/t26-,27-,28-;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.208	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from delta opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting a...				Bioorg Med Chem 21: 7628-47 (2013) Article DOI: 10.1016/j.bmc.2013.10.032 BindingDB Entry DOI: 10.7270/Q2VM4G71
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50494887 (CHEMBL4296731) Show SMILES Cl.Cl.[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CCF)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:6:5:31:15.14.13,THB:10:11:31:15.14.13| Show InChI InChI=1S/C25H25FN2O2.2ClH/c26-8-10-28-9-7-24-15-22-18(11-17-3-1-2-4-21(17)27-22)14-25(24,30)23(28)12-16-5-6-19(29)13-20(16)24;;/h1-6,11,13,23,29-30H,7-10,12,14-15H2;2*1H/t23-,24-,25-;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.213	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from delta opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting a...				Bioorg Med Chem 21: 7628-47 (2013) Article DOI: 10.1016/j.bmc.2013.10.032 BindingDB Entry DOI: 10.7270/Q2VM4G71
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50494880 (CHEMBL4296736) Show SMILES Cl.Cl.[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CCOCC)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:6:5:33:15.14.13,THB:10:11:33:15.14.13| Show InChI InChI=1S/C27H30N2O3.2ClH/c1-2-32-12-11-29-10-9-26-17-24-20(13-19-5-3-4-6-23(19)28-24)16-27(26,31)25(29)14-18-7-8-21(30)15-22(18)26;;/h3-8,13,15,25,30-31H,2,9-12,14,16-17H2,1H3;2*1H/t25-,26-,27-;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.224	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from delta opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting a...				Bioorg Med Chem 21: 7628-47 (2013) Article DOI: 10.1016/j.bmc.2013.10.032 BindingDB Entry DOI: 10.7270/Q2VM4G71
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50494881 (CHEMBL4296739) Show SMILES Cl.Cl.[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1C[C@@H](C)O)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:6:5:32:15.14.13,THB:10:11:32:15.14.13| Show InChI InChI=1S/C26H28N2O3.2ClH/c1-16(29)15-28-9-8-25-14-23-19(10-18-4-2-3-5-22(18)27-23)13-26(25,31)24(28)11-17-6-7-20(30)12-21(17)25;;/h2-7,10,12,16,24,29-31H,8-9,11,13-15H2,1H3;2*1H/t16-,24-,25-,26-;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.225	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from delta opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting a...				Bioorg Med Chem 21: 7628-47 (2013) Article DOI: 10.1016/j.bmc.2013.10.032 BindingDB Entry DOI: 10.7270/Q2VM4G71
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50118178 (CHEMBL3613172) Show SMILES Cl.[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@H]1N(C)C(=O)CCc1ccccc1)c1cc(O)ccc1C[C@@]34C2 |r| Show InChI InChI=1S/C32H40N2O2.ClH/c1-33(30(36)14-9-22-5-3-2-4-6-22)28-20-31-15-16-34(21-23-7-8-23)29-13-11-25(28)19-32(29,31)18-24-10-12-26(35)17-27(24)31;/h2-6,10,12,17,23,25,28-29,35H,7-9,11,13-16,18-21H2,1H3;1H/t25-,28-,29+,31-,32-;/m1./s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.229	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tsukuba Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in guinea pig cerebellum membranes				Bioorg Med Chem 23: 6271-9 (2015) Article DOI: 10.1016/j.bmc.2015.08.036 BindingDB Entry DOI: 10.7270/Q2V126M1
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50118184 (CHEMBL3613163) Show SMILES Cl.[H][C@]12C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)[C@@]4([H])C=C1)C[C@H]2N(C)C(=O)\C=C\c1ccoc1 |r,c:26| Show InChI InChI=1S/C30H34N2O3.ClH/c1-31(28(34)9-4-21-10-13-35-19-21)26-17-29-11-12-32(18-20-2-3-20)27-8-6-23(26)16-30(27,29)15-22-5-7-24(33)14-25(22)29;/h4-10,13-14,19-20,23,26-27,33H,2-3,11-12,15-18H2,1H3;1H/b9-4+;/t23-,26-,27+,29-,30-;/m1./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tsukuba Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from KOR in mouse whole brain membranes without cerebellum				Bioorg Med Chem 23: 6271-9 (2015) Article DOI: 10.1016/j.bmc.2015.08.036 BindingDB Entry DOI: 10.7270/Q2V126M1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50118177 (CHEMBL3613171) Show SMILES Cl.[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@H]1N(C)C(=O)\C=C\c1ccoc1)c1cc(O)ccc1C[C@@]34C2 |r| Show InChI InChI=1S/C30H36N2O3.ClH/c1-31(28(34)9-4-21-10-13-35-19-21)26-17-29-11-12-32(18-20-2-3-20)27-8-6-23(26)16-30(27,29)15-22-5-7-24(33)14-25(22)29;/h4-5,7,9-10,13-14,19-20,23,26-27,33H,2-3,6,8,11-12,15-18H2,1H3;1H/b9-4+;/t23-,26-,27+,29-,30-;/m1./s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.232	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tsukuba Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in guinea pig cerebellum membranes				Bioorg Med Chem 23: 6271-9 (2015) Article DOI: 10.1016/j.bmc.2015.08.036 BindingDB Entry DOI: 10.7270/Q2V126M1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50005127 (1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]8-OH-DAPT from human recombinant 5-HT1A receptor expressed in COS7 cells measured after 60 to 90 mins by radioligand completion a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00726 BindingDB Entry DOI: 10.7270/Q2JS9VBR
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50118182 (CHEMBL3613165) Show SMILES CC1(C)C2CCC1(CS(O)(=O)=O)C(=O)C2.[H][C@]12C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)[C@@]4([H])C=C1)C[C@H]2N(C)C(=O)Cc1ccccc1 |r,c:42| Show InChI InChI=1S/C31H36N2O2.C10H16O4S/c1-32(29(35)15-21-5-3-2-4-6-21)27-19-30-13-14-33(20-22-7-8-22)28-12-10-24(27)18-31(28,30)17-23-9-11-25(34)16-26(23)30;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h2-6,9-12,16,22,24,27-28,34H,7-8,13-15,17-20H2,1H3;7H,3-6H2,1-2H3,(H,12,13,14)/t24-,27-,28+,30-,31-;/m1./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tsukuba Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from KOR in mouse whole brain membranes without cerebellum				Bioorg Med Chem 23: 6271-9 (2015) Article DOI: 10.1016/j.bmc.2015.08.036 BindingDB Entry DOI: 10.7270/Q2V126M1
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50494891 (CHEMBL4296722) Show SMILES Cl.Cl.[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CCOC)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:6:5:32:15.14.13,THB:10:11:32:15.14.13| Show InChI InChI=1S/C26H28N2O3.2ClH/c1-31-11-10-28-9-8-25-16-23-19(12-18-4-2-3-5-22(18)27-23)15-26(25,30)24(28)13-17-6-7-20(29)14-21(17)25;;/h2-7,12,14,24,29-30H,8-11,13,15-16H2,1H3;2*1H/t24-,25-,26-;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.244	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from delta opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting a...				Bioorg Med Chem 21: 7628-47 (2013) Article DOI: 10.1016/j.bmc.2013.10.032 BindingDB Entry DOI: 10.7270/Q2VM4G71
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50494884 (CHEMBL4296737) Show SMILES Cl.Cl.[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1C[C@@H]1CCCO1)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:6:5:34:15.14.13,THB:10:11:34:15.14.13| Show InChI InChI=1S/C28H30N2O3.2ClH/c31-21-8-7-18-13-26-28(32)15-20-12-19-4-1-2-6-24(19)29-25(20)16-27(28,23(18)14-21)9-10-30(26)17-22-5-3-11-33-22;;/h1-2,4,6-8,12,14,22,26,31-32H,3,5,9-11,13,15-17H2;2*1H/t22-,26+,27+,28+;;/m0../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.257	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from delta opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting a...				Bioorg Med Chem 21: 7628-47 (2013) Article DOI: 10.1016/j.bmc.2013.10.032 BindingDB Entry DOI: 10.7270/Q2VM4G71
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50494878 (CHEMBL4296732) Show SMILES Cl.Cl.[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1C[C@H](C)O)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:6:5:32:15.14.13,THB:10:11:32:15.14.13| Show InChI InChI=1S/C26H28N2O3.2ClH/c1-16(29)15-28-9-8-25-14-23-19(10-18-4-2-3-5-22(18)27-23)13-26(25,31)24(28)11-17-6-7-20(30)12-21(17)25;;/h2-7,10,12,16,24,29-31H,8-9,11,13-15H2,1H3;2*1H/t16-,24+,25+,26+;;/m0../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.277	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from delta opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting a...				Bioorg Med Chem 21: 7628-47 (2013) Article DOI: 10.1016/j.bmc.2013.10.032 BindingDB Entry DOI: 10.7270/Q2VM4G71
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM11863 (4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...) Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.280	-54.0	0.300	n/a	n/a	n/a	n/a	7.5	22
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (GUINEA PIG)	BDBM50118190 (CHEMBL3613174) Show SMILES Cl.[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@H]1N(C)C(=O)c1ccccc1)c1cc(O)ccc1C[C@@]34C2 |r| Show InChI InChI=1S/C30H36N2O2.ClH/c1-31(28(34)21-5-3-2-4-6-21)26-18-29-13-14-32(19-20-7-8-20)27-12-10-23(26)17-30(27,29)16-22-9-11-24(33)15-25(22)29;/h2-6,9,11,15,20,23,26-27,33H,7-8,10,12-14,16-19H2,1H3;1H/t23-,26-,27+,29-,30-;/m1./s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tsukuba Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in guinea pig cerebellum membranes				Bioorg Med Chem 23: 6271-9 (2015) Article DOI: 10.1016/j.bmc.2015.08.036 BindingDB Entry DOI: 10.7270/Q2V126M1
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50241660 (CHEMBL4084398) Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O)[C@H]1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C27H35FN4O/c1-19(33)30-13-15-31(16-14-30)22-10-7-20(8-11-22)23-17-32(18-26(23)29(2)3)25-12-9-21-5-4-6-24(28)27(21)25/h4-8,10-11,23,25-26H,9,12-18H2,1-3H3/t23-,25+,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description The compound was tested for the inhibition of fibrinogen receptor				J Med Chem 60: 8321-8335 (2017) Article DOI: 10.1021/acs.jmedchem.7b00576 BindingDB Entry DOI: 10.7270/Q2TM7D8G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321088 (CHEMBL1163765 | N-Dibutyl-3-(4-nitrophenyl)ethylam...) Show SMILES CCCCN(CCCC)CCCc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C17H28N2O2/c1-3-5-13-18(14-6-4-2)15-7-8-16-9-11-17(12-10-16)19(20)21/h9-12H,3-8,13-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin School of Medicine and Public Health Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor in guinea pig liver homogenates after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 4397-404 (2010) Article DOI: 10.1016/j.bmc.2010.04.078 BindingDB Entry DOI: 10.7270/Q20C4VZT
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50241662 (CHEMBL4104741) Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Binding affinity to GST tagged EED (unknown origin) after 1 hr by OG(488) probe based TR-FRET assay				J Med Chem 60: 8321-8335 (2017) Article DOI: 10.1021/acs.jmedchem.7b00576 BindingDB Entry DOI: 10.7270/Q2TM7D8G
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50494886 (CHEMBL4296735) Show SMILES Cl.Cl.[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CCO)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:6:5:31:15.14.13,THB:10:11:31:15.14.13| Show InChI InChI=1S/C25H26N2O3.2ClH/c28-10-9-27-8-7-24-15-22-18(11-17-3-1-2-4-21(17)26-22)14-25(24,30)23(27)12-16-5-6-19(29)13-20(16)24;;/h1-6,11,13,23,28-30H,7-10,12,14-15H2;2*1H/t23-,24-,25-;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.314	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from delta opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting a...				Bioorg Med Chem 21: 7628-47 (2013) Article DOI: 10.1016/j.bmc.2013.10.032 BindingDB Entry DOI: 10.7270/Q2VM4G71
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50494877 (CHEMBL4296738) Show SMILES Cl.Cl.[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1Cc1ccoc1)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:6:5:34:15.14.13,THB:10:11:34:15.14.13| Show InChI InChI=1S/C28H26N2O3.2ClH/c31-22-6-5-19-12-26-28(32)14-21-11-20-3-1-2-4-24(20)29-25(21)15-27(28,23(19)13-22)8-9-30(26)16-18-7-10-33-17-18;;/h1-7,10-11,13,17,26,31-32H,8-9,12,14-16H2;2*1H/t26-,27-,28-;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.324	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from delta opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting a...				Bioorg Med Chem 21: 7628-47 (2013) Article DOI: 10.1016/j.bmc.2013.10.032 BindingDB Entry DOI: 10.7270/Q2VM4G71
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50347178 (CHEMBL1797688) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)C1(O)CC[C@@]35OC1 |r| Show InChI InChI=1S/C21H25NO4/c23-14-4-3-13-9-15-21-6-5-19(24,11-25-21)18-20(21,16(13)17(14)26-18)7-8-22(15)10-12-1-2-12/h3-4,12,15,18,23-24H,1-2,5-11H2/t15-,18?,19?,20+,21-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum homogenate by scintillation counting				Bioorg Med Chem Lett 21: 4104-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.147 BindingDB Entry DOI: 10.7270/Q25M66P3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50494876 (CHEMBL4296734) Show SMILES Cl.Cl.[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CCCOC)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:6:5:33:15.14.13,THB:10:11:33:15.14.13| Show InChI InChI=1S/C27H30N2O3.2ClH/c1-32-12-4-10-29-11-9-26-17-24-20(13-19-5-2-3-6-23(19)28-24)16-27(26,31)25(29)14-18-7-8-21(30)15-22(18)26;;/h2-3,5-8,13,15,25,30-31H,4,9-12,14,16-17H2,1H3;2*1H/t25-,26-,27-;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.342	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from delta opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting a...				Bioorg Med Chem 21: 7628-47 (2013) Article DOI: 10.1016/j.bmc.2013.10.032 BindingDB Entry DOI: 10.7270/Q2VM4G71
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50494889 (CHEMBL4296725) Show SMILES Cl.Cl.[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1C[C@H]1CCCO1)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:6:5:34:15.14.13,THB:10:11:34:15.14.13| Show InChI InChI=1S/C28H30N2O3.2ClH/c31-21-8-7-18-13-26-28(32)15-20-12-19-4-1-2-6-24(19)29-25(20)16-27(28,23(18)14-21)9-10-30(26)17-22-5-3-11-33-22;;/h1-2,4,6-8,12,14,22,26,31-32H,3,5,9-11,13,15-17H2;2*1H/t22-,26-,27-,28-;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from delta opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting a...				Bioorg Med Chem 21: 7628-47 (2013) Article DOI: 10.1016/j.bmc.2013.10.032 BindingDB Entry DOI: 10.7270/Q2VM4G71
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11108 ((2S)-1-{[(2S,5R)-5-{[(6-bromo-2H-1,3-benzodioxol-5...) Show SMILES Brc1cc2OCOc2cc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C18H20BrN3O4/c19-13-6-16-17(26-10-25-16)7-15(13)24-9-11-3-4-14(21-11)18(23)22-5-1-2-12(22)8-20/h6-7,11-12,14,21H,1-5,9-10H2/t11-,12+,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 3520-35 (2006) Article DOI: 10.1021/jm051283e BindingDB Entry DOI: 10.7270/Q2WS8RG1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50118182 (CHEMBL3613165) Show SMILES CC1(C)C2CCC1(CS(O)(=O)=O)C(=O)C2.[H][C@]12C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)[C@@]4([H])C=C1)C[C@H]2N(C)C(=O)Cc1ccccc1 |r,c:42| Show InChI InChI=1S/C31H36N2O2.C10H16O4S/c1-32(29(35)15-21-5-3-2-4-6-21)27-19-30-13-14-33(20-22-7-8-22)28-12-10-24(27)18-31(28,30)17-23-9-11-25(34)16-26(23)30;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h2-6,9-12,16,22,24,27-28,34H,7-8,13-15,17-20H2,1H3;7H,3-6H2,1-2H3,(H,12,13,14)/t24-,27-,28+,30-,31-;/m1./s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tsukuba Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in guinea pig cerebellum membranes				Bioorg Med Chem 23: 6271-9 (2015) Article DOI: 10.1016/j.bmc.2015.08.036 BindingDB Entry DOI: 10.7270/Q2V126M1
					More data for this Ligand-Target Pair

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