Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50000445   

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))	BDBM50250450 (CHEMBL4103328) Show SMILES [H][C@@]12CCC[C@@]3(OCc4ccccc4)[C@@]4([H])Cc5ccc(O)c(O1)c5[C@@]23CCN4C |r,TLB:29:28:5:24.17.16| Show InChI InChI=1S/C24H27NO3/c1-25-13-12-23-20-8-5-11-24(23,27-15-16-6-3-2-4-7-16)19(25)14-17-9-10-18(26)22(28-20)21(17)23/h2-4,6-7,9-10,19-20,26H,5,8,11-15H2,1H3/t19-,20+,23-,24-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from recombinant human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50250449 (CHEMBL4065490) Show SMILES [H][C@@]12CCC[C@@]3(OC)[C@@]4([H])Cc5ccc(O)c(O1)c5[C@@]23CCN4C |r,TLB:23:22:5:18.11.10| Show InChI InChI=1S/C18H23NO3/c1-19-9-8-17-14-4-3-7-18(17,21-2)13(19)10-11-5-6-12(20)16(22-14)15(11)17/h5-6,13-14,20H,3-4,7-10H2,1-2H3/t13-,14+,17-,18-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from recombinant human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50142700 (CHEMBL326684) Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)C(=O)CC[C@]1(OC)[C@@]5(CCN2C)c34 |r,TLB:23:22:16:2.3.24| Show InChI InChI=1S/C19H23NO4/c1-17-14(22)6-7-19(23-3)13-10-11-4-5-12(21)16(24-17)15(11)18(17,19)8-9-20(13)2/h4-5,13,21H,6-10H2,1-3H3/t13-,17+,18+,19-/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	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from recombinant human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50326662 (10-hydroxy-17-methoxy-4-methyl-(13R,17S)-12-oxa-4-...) Show SMILES CO[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r| Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-11(20)15(14)23-16(17)12(21)5-6-18(17,22-2)13(19)9-10/h3-4,13,16,20H,5-9H2,1-2H3/t13-,16+,17+,18-/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	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from recombinant human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50250451 (CHEMBL4088589) Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)CCC[C@]1(OC)[C@@]5(CCN2C)c34 |r,TLB:22:21:15:23.3.2| Show InChI InChI=1S/C19H25NO3/c1-17-7-4-8-19(22-3)14-11-12-5-6-13(21)16(23-17)15(12)18(17,19)9-10-20(14)2/h5-6,14,21H,4,7-11H2,1-3H3/t14-,17+,18+,19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from recombinant human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50250448 (CHEMBL607351) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CCC2=O)OCc1ccccc1)ccc3O |r,THB:10:9:14:4.5.6| Show InChI InChI=1S/C24H25NO4/c1-25-12-11-23-20-16-7-8-17(26)21(20)29-22(23)18(27)9-10-24(23,19(25)13-16)28-14-15-5-3-2-4-6-15/h2-8,19,22,26H,9-14H2,1H3/t19-,22+,23+,24-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Agonist activity at recombinant human MOR expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50250450 (CHEMBL4103328) Show SMILES [H][C@@]12CCC[C@@]3(OCc4ccccc4)[C@@]4([H])Cc5ccc(O)c(O1)c5[C@@]23CCN4C |r,TLB:29:28:5:24.17.16| Show InChI InChI=1S/C24H27NO3/c1-25-13-12-23-20-8-5-11-24(23,27-15-16-6-3-2-4-7-16)19(25)14-17-9-10-18(26)22(28-20)21(17)23/h2-4,6-7,9-10,19-20,26H,5,8,11-15H2,1H3/t19-,20+,23-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]-HS665 from recombinant human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50250450 (CHEMBL4103328) Show SMILES [H][C@@]12CCC[C@@]3(OCc4ccccc4)[C@@]4([H])Cc5ccc(O)c(O1)c5[C@@]23CCN4C |r,TLB:29:28:5:24.17.16| Show InChI InChI=1S/C24H27NO3/c1-25-13-12-23-20-8-5-11-24(23,27-15-16-6-3-2-4-7-16)19(25)14-17-9-10-18(26)22(28-20)21(17)23/h2-4,6-7,9-10,19-20,26H,5,8,11-15H2,1H3/t19-,20+,23-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from recombinant human DOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50250448 (CHEMBL607351) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CCC2=O)OCc1ccccc1)ccc3O |r,THB:10:9:14:4.5.6| Show InChI InChI=1S/C24H25NO4/c1-25-12-11-23-20-16-7-8-17(26)21(20)29-22(23)18(27)9-10-24(23,19(25)13-16)28-14-15-5-3-2-4-6-15/h2-8,19,22,26H,9-14H2,1H3/t19-,22+,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from recombinant human DOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50250448 (CHEMBL607351) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CCC2=O)OCc1ccccc1)ccc3O |r,THB:10:9:14:4.5.6| Show InChI InChI=1S/C24H25NO4/c1-25-12-11-23-20-16-7-8-17(26)21(20)29-22(23)18(27)9-10-24(23,19(25)13-16)28-14-15-5-3-2-4-6-15/h2-8,19,22,26H,9-14H2,1H3/t19-,22+,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]-HS665 from recombinant human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50250452 (CHEMBL4074110) Show SMILES [H][C@@]12CCC[C@@]3(O)[C@@]4([H])Cc5ccc(O)c(O1)c5[C@@]23CCN4C |r,TLB:22:21:5:17.10.9| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-16-13-3-2-6-17(16,20)12(18)9-10-4-5-11(19)15(21-13)14(10)16/h4-5,12-13,19-20H,2-3,6-9H2,1H3/t12-,13+,16-,17-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Agonist activity at recombinant human MOR expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50001707 (10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapen...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O |TLB:14:12:8.9.10:1.3.2,THB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from recombinant human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50250449 (CHEMBL4065490) Show SMILES [H][C@@]12CCC[C@@]3(OC)[C@@]4([H])Cc5ccc(O)c(O1)c5[C@@]23CCN4C |r,TLB:23:22:5:18.11.10| Show InChI InChI=1S/C18H23NO3/c1-19-9-8-17-14-4-3-7-18(17,21-2)13(19)10-11-5-6-12(20)16(22-14)15(11)17/h5-6,13-14,20H,3-4,7-10H2,1-2H3/t13-,14+,17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]-HS665 from recombinant human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50250451 (CHEMBL4088589) Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)CCC[C@]1(OC)[C@@]5(CCN2C)c34 |r,TLB:22:21:15:23.3.2| Show InChI InChI=1S/C19H25NO3/c1-17-7-4-8-19(22-3)14-11-12-5-6-13(21)16(23-17)15(12)18(17,19)9-10-20(14)2/h5-6,14,21H,4,7-11H2,1-3H3/t14-,17+,18+,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]-HS665 from recombinant human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50250449 (CHEMBL4065490) Show SMILES [H][C@@]12CCC[C@@]3(OC)[C@@]4([H])Cc5ccc(O)c(O1)c5[C@@]23CCN4C |r,TLB:23:22:5:18.11.10| Show InChI InChI=1S/C18H23NO3/c1-19-9-8-17-14-4-3-7-18(17,21-2)13(19)10-11-5-6-12(20)16(22-14)15(11)17/h5-6,13-14,20H,3-4,7-10H2,1-2H3/t13-,14+,17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from recombinant human DOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50326662 (10-hydroxy-17-methoxy-4-methyl-(13R,17S)-12-oxa-4-...) Show SMILES CO[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r| Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-11(20)15(14)23-16(17)12(21)5-6-18(17,22-2)13(19)9-10/h3-4,13,16,20H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from recombinant human DOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50326662 (10-hydroxy-17-methoxy-4-methyl-(13R,17S)-12-oxa-4-...) Show SMILES CO[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r| Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-11(20)15(14)23-16(17)12(21)5-6-18(17,22-2)13(19)9-10/h3-4,13,16,20H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]-HS665 from recombinant human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50250451 (CHEMBL4088589) Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)CCC[C@]1(OC)[C@@]5(CCN2C)c34 |r,TLB:22:21:15:23.3.2| Show InChI InChI=1S/C19H25NO3/c1-17-7-4-8-19(22-3)14-11-12-5-6-13(21)16(23-17)15(12)18(17,19)9-10-20(14)2/h5-6,14,21H,4,7-11H2,1-3H3/t14-,17+,18+,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from recombinant human DOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50142700 (CHEMBL326684) Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)C(=O)CC[C@]1(OC)[C@@]5(CCN2C)c34 |r,TLB:23:22:16:2.3.24| Show InChI InChI=1S/C19H23NO4/c1-17-14(22)6-7-19(23-3)13-10-11-4-5-12(21)16(24-17)15(11)18(17,19)8-9-20(13)2/h4-5,13,21H,6-10H2,1-3H3/t13-,17+,18+,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]-HS665 from recombinant human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50142700 (CHEMBL326684) Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)C(=O)CC[C@]1(OC)[C@@]5(CCN2C)c34 |r,TLB:23:22:16:2.3.24| Show InChI InChI=1S/C19H23NO4/c1-17-14(22)6-7-19(23-3)13-10-11-4-5-12(21)16(24-17)15(11)18(17,19)8-9-20(13)2/h4-5,13,21H,6-10H2,1-3H3/t13-,17+,18+,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from recombinant human DOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50250452 (CHEMBL4074110) Show SMILES [H][C@@]12CCC[C@@]3(O)[C@@]4([H])Cc5ccc(O)c(O1)c5[C@@]23CCN4C |r,TLB:22:21:5:17.10.9| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-16-13-3-2-6-17(16,20)12(18)9-10-4-5-11(19)15(21-13)14(10)16/h4-5,12-13,19-20H,2-3,6-9H2,1H3/t12-,13+,16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]-HS665 from recombinant human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50001707 (10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapen...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O |TLB:14:12:8.9.10:1.3.2,THB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]-HS665 from recombinant human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50001707 (10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapen...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O |TLB:14:12:8.9.10:1.3.2,THB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from recombinant human DOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50250452 (CHEMBL4074110) Show SMILES [H][C@@]12CCC[C@@]3(O)[C@@]4([H])Cc5ccc(O)c(O1)c5[C@@]23CCN4C |r,TLB:22:21:5:17.10.9| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-16-13-3-2-6-17(16,20)12(18)9-10-4-5-11(19)15(21-13)14(10)16/h4-5,12-13,19-20H,2-3,6-9H2,1H3/t12-,13+,16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	201	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from recombinant human DOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50250448 (CHEMBL607351) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CCC2=O)OCc1ccccc1)ccc3O |r,THB:10:9:14:4.5.6| Show InChI InChI=1S/C24H25NO4/c1-25-12-11-23-20-16-7-8-17(26)21(20)29-22(23)18(27)9-10-24(23,19(25)13-16)28-14-15-5-3-2-4-6-15/h2-8,19,22,26H,9-14H2,1H3/t19-,22+,23+,24-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.320	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Agonist activity at recombinant human MOR expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50250452 (CHEMBL4074110) Show SMILES [H][C@@]12CCC[C@@]3(O)[C@@]4([H])Cc5ccc(O)c(O1)c5[C@@]23CCN4C |r,TLB:22:21:5:17.10.9| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-16-13-3-2-6-17(16,20)12(18)9-10-4-5-11(19)15(21-13)14(10)16/h4-5,12-13,19-20H,2-3,6-9H2,1H3/t12-,13+,16-,17-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Agonist activity at recombinant human MOR expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50001707 (10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapen...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O |TLB:14:12:8.9.10:1.3.2,THB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	7.80	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Agonist activity at recombinant human MOR expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50250451 (CHEMBL4088589) Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)CCC[C@]1(OC)[C@@]5(CCN2C)c34 |r,TLB:22:21:15:23.3.2| Show InChI InChI=1S/C19H25NO3/c1-17-7-4-8-19(22-3)14-11-12-5-6-13(21)16(23-17)15(12)18(17,19)9-10-20(14)2/h5-6,14,21H,4,7-11H2,1-3H3/t14-,17+,18+,19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Agonist activity at recombinant human MOR expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50250450 (CHEMBL4103328) Show SMILES [H][C@@]12CCC[C@@]3(OCc4ccccc4)[C@@]4([H])Cc5ccc(O)c(O1)c5[C@@]23CCN4C |r,TLB:29:28:5:24.17.16| Show InChI InChI=1S/C24H27NO3/c1-25-13-12-23-20-8-5-11-24(23,27-15-16-6-3-2-4-7-16)19(25)14-17-9-10-18(26)22(28-20)21(17)23/h2-4,6-7,9-10,19-20,26H,5,8,11-15H2,1H3/t19-,20+,23-,24-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.130	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Agonist activity at recombinant human MOR expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50250449 (CHEMBL4065490) Show SMILES [H][C@@]12CCC[C@@]3(OC)[C@@]4([H])Cc5ccc(O)c(O1)c5[C@@]23CCN4C |r,TLB:23:22:5:18.11.10| Show InChI InChI=1S/C18H23NO3/c1-19-9-8-17-14-4-3-7-18(17,21-2)13(19)10-11-5-6-12(20)16(22-14)15(11)17/h5-6,13-14,20H,3-4,7-10H2,1-2H3/t13-,14+,17-,18-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Agonist activity at recombinant human MOR expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50326662 (10-hydroxy-17-methoxy-4-methyl-(13R,17S)-12-oxa-4-...) Show SMILES CO[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r| Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-11(20)15(14)23-16(17)12(21)5-6-18(17,22-2)13(19)9-10/h3-4,13,16,20H,5-9H2,1-2H3/t13-,16+,17+,18-/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	n/a	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Agonist activity at recombinant human MOR expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50142700 (CHEMBL326684) Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)C(=O)CC[C@]1(OC)[C@@]5(CCN2C)c34 |r,TLB:23:22:16:2.3.24| Show InChI InChI=1S/C19H23NO4/c1-17-14(22)6-7-19(23-3)13-10-11-4-5-12(21)16(24-17)15(11)18(17,19)8-9-20(13)2/h4-5,13,21H,6-10H2,1-3H3/t13-,17+,18+,19-/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	n/a	n/a	n/a	n/a	3.30	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Agonist activity at recombinant human MOR expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair