Compile Data Set for Download or QSAR

Found 367 hits with Last Name = 'itoh' and Initial = 'k'   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50161762 (CHEMBL3785854) Show SMILES [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1[nH]c4ccccc4c1C[C@@]23O |r,TLB:14:13:3.9.2:29| Show InChI InChI=1S/C26H28N2O2/c29-18-8-7-17-11-24-26(30)13-20-19-3-1-2-4-22(19)27-23(20)14-25(26,21(17)12-18)9-10-28(24)15-16-5-6-16/h1-4,7-8,12,16,24,27,29-30H,5-6,9-11,13-15H2/t24?,25-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0945	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 human delta opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50161765 (CHEMBL3787263) Show SMILES [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:14:13:3.9.2:30| 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 DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.303	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 human delta opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50370067 (CHEMBL1237164) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.460	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 human delta opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127176 BindingDB Entry DOI: 10.7270/Q2W380XV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50161763 (CHEMBL3787016) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1[nH]c4ccccc4c1CC[C@@]23O |r,TLB:14:13:3.9.2:30| Show InChI InChI=1S/C27H30N2O2/c30-19-8-7-18-13-25-27(31)10-9-21-20-3-1-2-4-23(20)28-24(21)15-26(27,22(18)14-19)11-12-29(25)16-17-5-6-17/h1-4,7-8,14,17,25,28,30-31H,5-6,9-13,15-16H2/t25?,26-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.531	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 human delta opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50161769 (CHEMBL3785265) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(C[C@@]23O)=C/c1ccccc1 |r,TLB:24:23:3.9.2:13.12.11,14:13:3.9.2:23,22:23:3.9.2:13.12.11,THB:8:9:23:13.12.11| Show InChI InChI=1S/C27H29NO3/c29-22-9-8-20-13-25-27(31)15-21(12-18-4-2-1-3-5-18)24(30)16-26(27,23(20)14-22)10-11-28(25)17-19-6-7-19/h1-5,8-9,12,14,19,25,29,31H,6-7,10-11,13,15-17H2/b21-12-/t25-,26-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.585	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 human delta opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50161768 (CHEMBL3786218) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(CC[C@@]23O)=C\c1ccccc1 |r,TLB:14:13:3.9.2:24| Show InChI InChI=1S/C28H31NO3/c30-23-9-8-21-15-26-28(32)11-10-22(14-19-4-2-1-3-5-19)25(31)17-27(28,24(21)16-23)12-13-29(26)18-20-6-7-20/h1-5,8-9,14,16,20,26,30,32H,6-7,10-13,15,17-18H2/b22-14+/t26?,27-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.644	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 human delta opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.648	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]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50161771 (CHEMBL3786675) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)CCC[C@@]23O |r,TLB:14:13:3.9.2:24| Show InChI InChI=1S/C21H27NO3/c23-16-6-5-15-10-19-21(25)7-1-2-17(24)12-20(21,18(15)11-16)8-9-22(19)13-14-3-4-14/h5-6,11,14,19,23,25H,1-4,7-10,12-13H2/t19?,20-,21-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.692	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 human mu opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50161771 (CHEMBL3786675) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)CCC[C@@]23O |r,TLB:14:13:3.9.2:24| Show InChI InChI=1S/C21H27NO3/c23-16-6-5-15-10-19-21(25)7-1-2-17(24)12-20(21,18(15)11-16)8-9-22(19)13-14-3-4-14/h5-6,11,14,19,23,25H,1-4,7-10,12-13H2/t19?,20-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.748	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]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.769	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 human mu opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50161766 (CHEMBL3787663) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1CC[C@@]23O |r,TLB:14:13:3.9.2:31| Show InChI InChI=1S/C28H30N2O2/c31-22-8-7-19-14-26-28(32)10-9-21-13-20-3-1-2-4-24(20)29-25(21)16-27(28,23(19)15-22)11-12-30(26)17-18-5-6-18/h1-4,7-8,13,15,18,26,31-32H,5-6,9-12,14,16-17H2/t26?,27-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	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 human delta opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.60	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 human delta opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50161767 (CHEMBL3786970) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(C[C@@]23O)=C\c1ccccc1 |r,TLB:24:23:3.9.2:13.12.11,14:13:3.9.2:23,22:23:3.9.2:13.12.11,THB:8:9:23:13.12.11| Show InChI InChI=1S/C27H29NO3/c29-22-9-8-20-13-25-27(31)15-21(12-18-4-2-1-3-5-18)24(30)16-26(27,23(20)14-22)10-11-28(25)17-19-6-7-19/h1-5,8-9,12,14,19,25,29,31H,6-7,10-11,13,15-17H2/b21-12+/t25-,26-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	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 human delta opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50161762 (CHEMBL3785854) Show SMILES [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1[nH]c4ccccc4c1C[C@@]23O |r,TLB:14:13:3.9.2:29| Show InChI InChI=1S/C26H28N2O2/c29-18-8-7-17-11-24-26(30)13-20-19-3-1-2-4-22(19)27-23(20)14-25(26,21(17)12-18)9-10-28(24)15-16-5-6-16/h1-4,7-8,12,16,24,27,29-30H,5-6,9-11,13-15H2/t24?,25-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	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]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50161765 (CHEMBL3787263) Show SMILES [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:14:13:3.9.2:30| 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 DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	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]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50454798 (7-Benzylidenenaltrexone | BNTX) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:17:6.5.4| Show InChI InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12+/t21-,25+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	3.5	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 human delta opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50545482 (CHEMBL4649733) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1C(=O)CCc1ccccc1)Cc1nc4ccccc4cc1C[C@@]23O |r,THB:14:13:9.3.2:36| Show InChI InChI=1S/C32H30N2O3/c35-25-12-11-22-17-29-32(37)19-24-16-23-8-4-5-9-27(23)33-28(24)20-31(32,26(22)18-25)14-15-34(29)30(36)13-10-21-6-2-1-3-7-21/h1-9,11-12,16,18,29,35,37H,10,13-15,17,19-20H2/t29-,31-,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.20	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 human delta opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127176 BindingDB Entry DOI: 10.7270/Q2W380XV
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50161766 (CHEMBL3787663) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1CC[C@@]23O |r,TLB:14:13:3.9.2:31| Show InChI InChI=1S/C28H30N2O2/c31-22-8-7-19-14-26-28(32)10-9-21-13-20-3-1-2-4-24(20)29-25(21)16-27(28,23(19)15-22)11-12-30(26)17-18-5-6-18/h1-4,7-8,13,15,18,26,31-32H,5-6,9-12,14,16-17H2/t26?,27-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	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]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50161769 (CHEMBL3785265) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(C[C@@]23O)=C/c1ccccc1 |r,TLB:24:23:3.9.2:13.12.11,14:13:3.9.2:23,22:23:3.9.2:13.12.11,THB:8:9:23:13.12.11| Show InChI InChI=1S/C27H29NO3/c29-22-9-8-20-13-25-27(31)15-21(12-18-4-2-1-3-5-18)24(30)16-26(27,23(20)14-22)10-11-28(25)17-19-6-7-19/h1-5,8-9,12,14,19,25,29,31H,6-7,10-11,13,15-17H2/b21-12-/t25-,26-,27-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	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 human mu opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50161768 (CHEMBL3786218) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(CC[C@@]23O)=C\c1ccccc1 |r,TLB:14:13:3.9.2:24| Show InChI InChI=1S/C28H31NO3/c30-23-9-8-21-15-26-28(32)11-10-22(14-19-4-2-1-3-5-19)25(31)17-27(28,24(21)16-23)12-13-29(26)18-20-6-7-20/h1-5,8-9,14,16,20,26,30,32H,6-7,10-13,15,17-18H2/b22-14+/t26?,27-,28-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	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 human mu opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50161763 (CHEMBL3787016) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1[nH]c4ccccc4c1CC[C@@]23O |r,TLB:14:13:3.9.2:30| Show InChI InChI=1S/C27H30N2O2/c30-19-8-7-18-13-25-27(31)10-9-21-20-3-1-2-4-23(20)28-24(21)15-26(27,22(18)14-19)11-12-29(25)16-17-5-6-17/h1-4,7-8,14,17,25,28,30-31H,5-6,9-13,15-16H2/t25?,26-,27-/m1/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	5.80	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 human mu opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50161763 (CHEMBL3787016) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1[nH]c4ccccc4c1CC[C@@]23O |r,TLB:14:13:3.9.2:30| Show InChI InChI=1S/C27H30N2O2/c30-19-8-7-18-13-25-27(31)10-9-21-20-3-1-2-4-23(20)28-24(21)15-26(27,22(18)14-19)11-12-29(25)16-17-5-6-17/h1-4,7-8,14,17,25,28,30-31H,5-6,9-13,15-16H2/t25?,26-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.60	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]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50161765 (CHEMBL3787263) Show SMILES [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:14:13:3.9.2:30| 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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	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 human mu opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50161768 (CHEMBL3786218) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(CC[C@@]23O)=C\c1ccccc1 |r,TLB:14:13:3.9.2:24| Show InChI InChI=1S/C28H31NO3/c30-23-9-8-21-15-26-28(32)11-10-22(14-19-4-2-1-3-5-19)25(31)17-27(28,24(21)16-23)12-13-29(26)18-20-6-7-20/h1-5,8-9,14,16,20,26,30,32H,6-7,10-13,15,17-18H2/b22-14+/t26?,27-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10	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]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50161769 (CHEMBL3785265) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(C[C@@]23O)=C/c1ccccc1 |r,TLB:24:23:3.9.2:13.12.11,14:13:3.9.2:23,22:23:3.9.2:13.12.11,THB:8:9:23:13.12.11| Show InChI InChI=1S/C27H29NO3/c29-22-9-8-20-13-25-27(31)15-21(12-18-4-2-1-3-5-18)24(30)16-26(27,23(20)14-22)10-11-28(25)17-19-6-7-19/h1-5,8-9,12,14,19,25,29,31H,6-7,10-11,13,15-17H2/b21-12-/t25-,26-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.70	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]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50161770 (CHEMBL3786083) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(CC[C@@]23O)=C/c1ccccc1 |r,TLB:14:13:3.9.2:24| Show InChI InChI=1S/C28H31NO3/c30-23-9-8-21-15-26-28(32)11-10-22(14-19-4-2-1-3-5-19)25(31)17-27(28,24(21)16-23)12-13-29(26)18-20-6-7-20/h1-5,8-9,14,16,20,26,30,32H,6-7,10-13,15,17-18H2/b22-14-/t26?,27-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.80	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 human delta opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50454798 (7-Benzylidenenaltrexone | BNTX) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:17:6.5.4| Show InChI InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12+/t21-,25+,26+,27-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	11	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 human mu opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50161771 (CHEMBL3786675) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)CCC[C@@]23O |r,TLB:14:13:3.9.2:24| Show InChI InChI=1S/C21H27NO3/c23-16-6-5-15-10-19-21(25)7-1-2-17(24)12-20(21,18(15)11-16)8-9-22(19)13-14-3-4-14/h5-6,11,14,19,23,25H,1-4,7-10,12-13H2/t19?,20-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	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 human delta opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50370067 (CHEMBL1237164) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	15	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 human kappa opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127176 BindingDB Entry DOI: 10.7270/Q2W380XV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50161766 (CHEMBL3787663) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1CC[C@@]23O |r,TLB:14:13:3.9.2:31| Show InChI InChI=1S/C28H30N2O2/c31-22-8-7-19-14-26-28(32)10-9-21-13-20-3-1-2-4-24(20)29-25(21)16-27(28,23(19)15-22)11-12-30(26)17-18-5-6-18/h1-4,7-8,13,15,18,26,31-32H,5-6,9-12,14,16-17H2/t26?,27-,28-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	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 human mu opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50161770 (CHEMBL3786083) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(CC[C@@]23O)=C/c1ccccc1 |r,TLB:14:13:3.9.2:24| Show InChI InChI=1S/C28H31NO3/c30-23-9-8-21-15-26-28(32)11-10-22(14-19-4-2-1-3-5-19)25(31)17-27(28,24(21)16-23)12-13-29(26)18-20-6-7-20/h1-5,8-9,14,16,20,26,30,32H,6-7,10-13,15,17-18H2/b22-14-/t26?,27-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	18	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]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50161767 (CHEMBL3786970) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(C[C@@]23O)=C\c1ccccc1 |r,TLB:24:23:3.9.2:13.12.11,14:13:3.9.2:23,22:23:3.9.2:13.12.11,THB:8:9:23:13.12.11| Show InChI InChI=1S/C27H29NO3/c29-22-9-8-20-13-25-27(31)15-21(12-18-4-2-1-3-5-18)24(30)16-26(27,23(20)14-22)10-11-28(25)17-19-6-7-19/h1-5,8-9,12,14,19,25,29,31H,6-7,10-11,13,15-17H2/b21-12+/t25-,26-,27-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	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 human mu opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50161762 (CHEMBL3785854) Show SMILES [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1[nH]c4ccccc4c1C[C@@]23O |r,TLB:14:13:3.9.2:29| Show InChI InChI=1S/C26H28N2O2/c29-18-8-7-17-11-24-26(30)13-20-19-3-1-2-4-22(19)27-23(20)14-25(26,21(17)12-18)9-10-28(24)15-16-5-6-16/h1-4,7-8,12,16,24,27,29-30H,5-6,9-11,13-15H2/t24?,25-,26-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	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 human mu opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50545481 (CHEMBL4632584) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1C(=O)Cc1ccccc1)Cc1nc4ccccc4cc1C[C@@]23O |r,THB:14:13:9.3.2:35| Show InChI InChI=1S/C31H28N2O3/c34-24-11-10-21-16-28-31(36)18-23-15-22-8-4-5-9-26(22)32-27(23)19-30(31,25(21)17-24)12-13-33(28)29(35)14-20-6-2-1-3-7-20/h1-11,15,17,28,34,36H,12-14,16,18-19H2/t28-,30-,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	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 human delta opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127176 BindingDB Entry DOI: 10.7270/Q2W380XV
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50454798 (7-Benzylidenenaltrexone | BNTX) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:17:6.5.4| Show InChI InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12+/t21-,25+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	28	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]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50370067 (CHEMBL1237164) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	31	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 human mu opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127176 BindingDB Entry DOI: 10.7270/Q2W380XV
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50161767 (CHEMBL3786970) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(C[C@@]23O)=C\c1ccccc1 |r,TLB:24:23:3.9.2:13.12.11,14:13:3.9.2:23,22:23:3.9.2:13.12.11,THB:8:9:23:13.12.11| Show InChI InChI=1S/C27H29NO3/c29-22-9-8-20-13-25-27(31)15-21(12-18-4-2-1-3-5-18)24(30)16-26(27,23(20)14-22)10-11-28(25)17-19-6-7-19/h1-5,8-9,12,14,19,25,29,31H,6-7,10-11,13,15-17H2/b21-12+/t25-,26-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	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]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50545479 (CHEMBL4638693) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)C(=O)Cc1ccccc1)ccc3O |r,THB:25:9:4.5.6:13| Show InChI InChI=1S/C30H26N2O4/c33-22-11-10-18-15-23-30(35)16-20-19-8-4-5-9-21(19)31-26(20)28-29(30,25(18)27(22)36-28)12-13-32(23)24(34)14-17-6-2-1-3-7-17/h1-11,23,28,31,33,35H,12-16H2/t23-,28+,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	42	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 human delta opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127176 BindingDB Entry DOI: 10.7270/Q2W380XV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50161770 (CHEMBL3786083) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(CC[C@@]23O)=C/c1ccccc1 |r,TLB:14:13:3.9.2:24| Show InChI InChI=1S/C28H31NO3/c30-23-9-8-21-15-26-28(32)11-10-22(14-19-4-2-1-3-5-19)25(31)17-27(28,24(21)16-23)12-13-29(26)18-20-6-7-20/h1-5,8-9,14,16,20,26,30,32H,6-7,10-13,15,17-18H2/b22-14-/t26?,27-,28-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	52	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 human mu opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) Article DOI: 10.1016/j.bmc.2016.03.040 BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50545480 (CHEMBL4636799) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)C(=O)CCc1ccccc1)ccc3O |r,THB:25:9:4.5.6:13| Show InChI InChI=1S/C31H28N2O4/c34-23-12-11-19-16-24-31(36)17-21-20-8-4-5-9-22(20)32-27(21)29-30(31,26(19)28(23)37-29)14-15-33(24)25(35)13-10-18-6-2-1-3-7-18/h1-9,11-12,24,29,32,34,36H,10,13-17H2/t24-,29+,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	89	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 human delta opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127176 BindingDB Entry DOI: 10.7270/Q2W380XV
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50028122 (2-Amino-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one ...) Show SMILES Nc1nc2[nH]ccc2c(=O)[nH]1 Show InChI InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H4,7,8,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents	PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against TS				J Med Chem 37: 1616-24 (1994) BindingDB Entry DOI: 10.7270/Q21G0MWV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50028122 (2-Amino-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one ...) Show SMILES Nc1nc2[nH]ccc2c(=O)[nH]1 Show InChI InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H4,7,8,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents	PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against dihydrofolate reductase				J Med Chem 37: 1616-24 (1994) BindingDB Entry DOI: 10.7270/Q21G0MWV
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50518736 (CHEMBL4526940) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)\N=C1/C=C(SCC(O)=O)C(=O)c2ccccc12 |t:16| Show InChI InChI=1S/C22H21NO5S2/c1-22(2,3)14-8-10-15(11-9-14)30(27,28)23-18-12-19(29-13-20(24)25)21(26)17-7-5-4-6-16(17)18/h4-12H,13H2,1-3H3,(H,24,25)/b23-18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	625	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya Citi University Curated by ChEMBL					Assay Description Inhibition of recombinant Pin1 (unknown origin) using Suc-AEPF-MCA as substrate preincubated followed by substrate addition and measured after 60 to ...				Bioorg Med Chem Lett 29: 353-356 (2019) Article DOI: 10.1016/j.bmcl.2018.12.044 BindingDB Entry DOI: 10.7270/Q27D2ZH0
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50518734 (CHEMBL4467081) Show SMILES OC(=O)[C@H](CCC(=O)N1CCOCC1)NC(=O)\C=C\c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C22H24N2O5/c25-20(9-6-16-5-7-17-3-1-2-4-18(17)15-16)23-19(22(27)28)8-10-21(26)24-11-13-29-14-12-24/h1-7,9,15,19H,8,10-14H2,(H,23,25)(H,27,28)/b9-6+/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya Citi University Curated by ChEMBL					Assay Description Irreversible inhibition of Pin1 (unknown origin) using suc-Ala-Glu-Pro-Phe-pNA as substrate preincubated for 10 mins followed by substrate addition a...				Bioorg Med Chem Lett 29: 353-356 (2019) Article DOI: 10.1016/j.bmcl.2018.12.044 BindingDB Entry DOI: 10.7270/Q27D2ZH0
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50545482 (CHEMBL4649733) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1C(=O)CCc1ccccc1)Cc1nc4ccccc4cc1C[C@@]23O |r,THB:14:13:9.3.2:36| Show InChI InChI=1S/C32H30N2O3/c35-25-12-11-22-17-29-32(37)19-24-16-23-8-4-5-9-27(23)33-28(24)20-31(32,26(22)18-25)14-15-34(29)30(36)13-10-21-6-2-1-3-7-21/h1-9,11-12,16,18,29,35,37H,10,13-15,17,19-20H2/t29-,31-,32-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.79E+3	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 human mu opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127176 BindingDB Entry DOI: 10.7270/Q2W380XV
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50545480 (CHEMBL4636799) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)C(=O)CCc1ccccc1)ccc3O |r,THB:25:9:4.5.6:13| Show InChI InChI=1S/C31H28N2O4/c34-23-12-11-19-16-24-31(36)17-21-20-8-4-5-9-22(20)32-27(21)29-30(31,26(19)28(23)37-29)14-15-33(24)25(35)13-10-18-6-2-1-3-7-18/h1-9,11-12,24,29,32,34,36H,10,13-17H2/t24-,29+,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.15E+3	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 human kappa opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127176 BindingDB Entry DOI: 10.7270/Q2W380XV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50545480 (CHEMBL4636799) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)C(=O)CCc1ccccc1)ccc3O |r,THB:25:9:4.5.6:13| Show InChI InChI=1S/C31H28N2O4/c34-23-12-11-19-16-24-31(36)17-21-20-8-4-5-9-22(20)32-27(21)29-30(31,26(19)28(23)37-29)14-15-33(24)25(35)13-10-18-6-2-1-3-7-18/h1-9,11-12,24,29,32,34,36H,10,13-17H2/t24-,29+,30+,31-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.48E+3	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 human mu opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127176 BindingDB Entry DOI: 10.7270/Q2W380XV
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50518732 (CHEMBL4473488) Show SMILES OC(=O)[C@@H](CCC(=O)N1CCOCC1)NC(=O)\C=C\c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C22H24N2O5/c25-20(9-6-16-5-7-17-3-1-2-4-18(17)15-16)23-19(22(27)28)8-10-21(26)24-11-13-29-14-12-24/h1-7,9,15,19H,8,10-14H2,(H,23,25)(H,27,28)/b9-6+/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya Citi University Curated by ChEMBL					Assay Description Irreversible inhibition of Pin1 (unknown origin) using suc-Ala-Glu-Pro-Phe-pNA as substrate preincubated for 10 mins followed by substrate addition a...				Bioorg Med Chem Lett 29: 353-356 (2019) Article DOI: 10.1016/j.bmcl.2018.12.044 BindingDB Entry DOI: 10.7270/Q27D2ZH0
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50545479 (CHEMBL4638693) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)C(=O)Cc1ccccc1)ccc3O |r,THB:25:9:4.5.6:13| Show InChI InChI=1S/C30H26N2O4/c33-22-11-10-18-15-23-30(35)16-20-19-8-4-5-9-21(19)31-26(20)28-29(30,25(18)27(22)36-28)12-13-32(23)24(34)14-17-6-2-1-3-7-17/h1-11,23,28,31,33,35H,12-16H2/t23-,28+,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.99E+3	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 human kappa opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127176 BindingDB Entry DOI: 10.7270/Q2W380XV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50545479 (CHEMBL4638693) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)C(=O)Cc1ccccc1)ccc3O |r,THB:25:9:4.5.6:13| Show InChI InChI=1S/C30H26N2O4/c33-22-11-10-18-15-23-30(35)16-20-19-8-4-5-9-21(19)31-26(20)28-29(30,25(18)27(22)36-28)12-13-32(23)24(34)14-17-6-2-1-3-7-17/h1-11,23,28,31,33,35H,12-16H2/t23-,28+,29+,30-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.67E+3	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 human mu opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127176 BindingDB Entry DOI: 10.7270/Q2W380XV
					More data for this Ligand-Target Pair

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