Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50008562   

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))	BDBM50520470 (CHEMBL4440537) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CCc3ccccc3C2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C30H37N3O3.C2HF3O2/c1-4-36-29-10-9-22(18-33-12-11-23-7-5-6-8-24(23)19-33)15-25(29)17-32-30(35)28(31)16-27-20(2)13-26(34)14-21(27)3;3-2(4,5)1(6)7/h5-10,13-15,28,34H,4,11-12,16-19,31H2,1-3H3,(H,32,35);(H,6,7)/t28-;/m0./s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human MOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50520469 (CHEMBL4443759) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C1 |r| Show InChI InChI=1S/C29H33N3O4.C2HF3O2/c1-4-36-27-10-9-20(29(35)32-16-21-7-5-6-8-22(21)17-32)13-23(27)15-31-28(34)26(30)14-25-18(2)11-24(33)12-19(25)3;3-2(4,5)1(6)7/h5-13,26,33H,4,14-17,30H2,1-3H3,(H,31,34);(H,6,7)/t26-;/m0./s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human MOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50520471 (CHEMBL4592669) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CNCc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C28H35N3O3.C2HF3O2/c1-4-34-27-11-10-22(17-30-16-21-8-6-5-7-9-21)14-23(27)18-31-28(33)26(29)15-25-19(2)12-24(32)13-20(25)3;3-2(4,5)1(6)7/h5-14,26,30,32H,4,15-18,29H2,1-3H3,(H,31,33);(H,6,7)/t26-;/m0./s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human MOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50520468 (CHEMBL4587201) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN(C)Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C29H37N3O3.C2HF3O2/c1-5-35-28-12-11-23(19-32(4)18-22-9-7-6-8-10-22)15-24(28)17-31-29(34)27(30)16-26-20(2)13-25(33)14-21(26)3;3-2(4,5)1(6)7/h6-15,27,33H,5,16-19,30H2,1-4H3,(H,31,34);(H,6,7)/t27-;/m0./s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human MOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50520465 (CHEMBL4443716) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2Cc3ccccc3C2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C29H35N3O3.C2HF3O2/c1-4-35-28-10-9-21(16-32-17-22-7-5-6-8-23(22)18-32)13-24(28)15-31-29(34)27(30)14-26-19(2)11-25(33)12-20(26)3;3-2(4,5)1(6)7/h5-13,27,33H,4,14-18,30H2,1-3H3,(H,31,34);(H,6,7)/t27-;/m0./s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human MOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50520471 (CHEMBL4592669) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CNCc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C28H35N3O3.C2HF3O2/c1-4-34-27-11-10-22(17-30-16-21-8-6-5-7-9-21)14-23(27)18-31-28(33)26(29)15-25-19(2)12-24(32)13-20(25)3;3-2(4,5)1(6)7/h5-14,26,30,32H,4,15-18,29H2,1-3H3,(H,31,33);(H,6,7)/t26-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human DOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50520468 (CHEMBL4587201) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN(C)Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C29H37N3O3.C2HF3O2/c1-5-35-28-12-11-23(19-32(4)18-22-9-7-6-8-10-22)15-24(28)17-31-29(34)27(30)16-26-20(2)13-25(33)14-21(26)3;3-2(4,5)1(6)7/h6-15,27,33H,5,16-19,30H2,1-4H3,(H,31,34);(H,6,7)/t27-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human DOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50520470 (CHEMBL4440537) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CCc3ccccc3C2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C30H37N3O3.C2HF3O2/c1-4-36-29-10-9-22(18-33-12-11-23-7-5-6-8-24(23)19-33)15-25(29)17-32-30(35)28(31)16-27-20(2)13-26(34)14-21(27)3;3-2(4,5)1(6)7/h5-10,13-15,28,34H,4,11-12,16-19,31H2,1-3H3,(H,32,35);(H,6,7)/t28-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human DOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50520465 (CHEMBL4443716) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2Cc3ccccc3C2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C29H35N3O3.C2HF3O2/c1-4-35-28-10-9-21(16-32-17-22-7-5-6-8-23(22)18-32)13-24(28)15-31-29(34)27(30)14-26-19(2)11-25(33)12-20(26)3;3-2(4,5)1(6)7/h5-13,27,33H,4,14-18,30H2,1-3H3,(H,31,34);(H,6,7)/t27-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human DOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50520473 (CHEMBL4453368) Show SMILES CCOc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C27H32N2O3/c1-4-32-26-11-10-21(14-20-8-6-5-7-9-20)15-22(26)17-29-27(31)25(28)16-24-18(2)12-23(30)13-19(24)3/h5-13,15,25,30H,4,14,16-17,28H2,1-3H3,(H,29,31)/t25-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human MOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human MOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50520473 (CHEMBL4453368) Show SMILES CCOc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C27H32N2O3/c1-4-32-26-11-10-21(14-20-8-6-5-7-9-20)15-22(26)17-29-27(31)25(28)16-24-18(2)12-23(30)13-19(24)3/h5-13,15,25,30H,4,14,16-17,28H2,1-3H3,(H,29,31)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human DOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50520467 (CHEMBL4482942) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CCCCC2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C26H37N3O3.C2HF3O2/c1-4-32-25-9-8-20(17-29-10-6-5-7-11-29)14-21(25)16-28-26(31)24(27)15-23-18(2)12-22(30)13-19(23)3;3-2(4,5)1(6)7/h8-9,12-14,24,30H,4-7,10-11,15-17,27H2,1-3H3,(H,28,31);(H,6,7)/t24-;/m0./s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human MOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50520469 (CHEMBL4443759) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C1 |r| Show InChI InChI=1S/C29H33N3O4.C2HF3O2/c1-4-36-27-10-9-20(29(35)32-16-21-7-5-6-8-22(21)17-32)13-23(27)15-31-28(34)26(30)14-25-18(2)11-24(33)12-19(25)3;3-2(4,5)1(6)7/h5-13,26,33H,4,14-17,30H2,1-3H3,(H,31,34);(H,6,7)/t26-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human DOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50520468 (CHEMBL4587201) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN(C)Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C29H37N3O3.C2HF3O2/c1-5-35-28-12-11-23(19-32(4)18-22-9-7-6-8-10-22)15-24(28)17-31-29(34)27(30)16-26-20(2)13-25(33)14-21(26)3;3-2(4,5)1(6)7/h6-15,27,33H,5,16-19,30H2,1-4H3,(H,31,34);(H,6,7)/t27-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human KOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50520466 (CHEMBL4564309) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CCCC2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C25H35N3O3.C2HF3O2/c1-4-31-24-8-7-19(16-28-9-5-6-10-28)13-20(24)15-27-25(30)23(26)14-22-17(2)11-21(29)12-18(22)3;3-2(4,5)1(6)7/h7-8,11-13,23,29H,4-6,9-10,14-16,26H2,1-3H3,(H,27,30);(H,6,7)/t23-;/m0./s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human MOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50520467 (CHEMBL4482942) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CCCCC2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C26H37N3O3.C2HF3O2/c1-4-32-25-9-8-20(17-29-10-6-5-7-11-29)14-21(25)16-28-26(31)24(27)15-23-18(2)12-22(30)13-19(23)3;3-2(4,5)1(6)7/h8-9,12-14,24,30H,4-7,10-11,15-17,27H2,1-3H3,(H,28,31);(H,6,7)/t24-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human DOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50520472 (CHEMBL4437661) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CC3CC3C2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C26H35N3O3.C2HF3O2/c1-4-32-25-6-5-18(13-29-14-20-10-21(20)15-29)9-19(25)12-28-26(31)24(27)11-23-16(2)7-22(30)8-17(23)3;3-2(4,5)1(6)7/h5-9,20-21,24,30H,4,10-15,27H2,1-3H3,(H,28,31);(H,6,7)/t20?,21?,24-;/m0./s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human MOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50520471 (CHEMBL4592669) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CNCc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C28H35N3O3.C2HF3O2/c1-4-34-27-11-10-22(17-30-16-21-8-6-5-7-9-21)14-23(27)18-31-28(33)26(29)15-25-19(2)12-24(32)13-20(25)3;3-2(4,5)1(6)7/h5-14,26,30,32H,4,15-18,29H2,1-3H3,(H,31,33);(H,6,7)/t26-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human KOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50520474 (CHEMBL4443773) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C25H33N3O4.C2HF3O2/c1-4-32-23-8-7-18(25(31)28-9-5-6-10-28)13-19(23)15-27-24(30)22(26)14-21-16(2)11-20(29)12-17(21)3;3-2(4,5)1(6)7/h7-8,11-13,22,29H,4-6,9-10,14-15,26H2,1-3H3,(H,27,30);(H,6,7)/t22-;/m0./s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human MOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human KOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50520475 (CHEMBL4557264) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CCOCC2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C25H35N3O4.C2HF3O2/c1-4-32-24-6-5-19(16-28-7-9-31-10-8-28)13-20(24)15-27-25(30)23(26)14-22-17(2)11-21(29)12-18(22)3;3-2(4,5)1(6)7/h5-6,11-13,23,29H,4,7-10,14-16,26H2,1-3H3,(H,27,30);(H,6,7)/t23-;/m0./s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human MOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50520466 (CHEMBL4564309) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CCCC2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C25H35N3O3.C2HF3O2/c1-4-31-24-8-7-19(16-28-9-5-6-10-28)13-20(24)15-27-25(30)23(26)14-22-17(2)11-21(29)12-18(22)3;3-2(4,5)1(6)7/h7-8,11-13,23,29H,4-6,9-10,14-16,26H2,1-3H3,(H,27,30);(H,6,7)/t23-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human DOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50520470 (CHEMBL4440537) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CCc3ccccc3C2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C30H37N3O3.C2HF3O2/c1-4-36-29-10-9-22(18-33-12-11-23-7-5-6-8-24(23)19-33)15-25(29)17-32-30(35)28(31)16-27-20(2)13-26(34)14-21(27)3;3-2(4,5)1(6)7/h5-10,13-15,28,34H,4,11-12,16-19,31H2,1-3H3,(H,32,35);(H,6,7)/t28-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human KOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50520472 (CHEMBL4437661) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CC3CC3C2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C26H35N3O3.C2HF3O2/c1-4-32-25-6-5-18(13-29-14-20-10-21(20)15-29)9-19(25)12-28-26(31)24(27)11-23-16(2)7-22(30)8-17(23)3;3-2(4,5)1(6)7/h5-9,20-21,24,30H,4,10-15,27H2,1-3H3,(H,28,31);(H,6,7)/t20?,21?,24-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human DOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50520474 (CHEMBL4443773) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C25H33N3O4.C2HF3O2/c1-4-32-23-8-7-18(25(31)28-9-5-6-10-28)13-19(23)15-27-24(30)22(26)14-21-16(2)11-20(29)12-17(21)3;3-2(4,5)1(6)7/h7-8,11-13,22,29H,4-6,9-10,14-15,26H2,1-3H3,(H,27,30);(H,6,7)/t22-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human DOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50520475 (CHEMBL4557264) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CCOCC2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C25H35N3O4.C2HF3O2/c1-4-32-24-6-5-19(16-28-7-9-31-10-8-28)13-20(24)15-27-25(30)23(26)14-22-17(2)11-21(29)12-18(22)3;3-2(4,5)1(6)7/h5-6,11-13,23,29H,4,7-10,14-16,26H2,1-3H3,(H,27,30);(H,6,7)/t23-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human DOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50520467 (CHEMBL4482942) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CCCCC2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C26H37N3O3.C2HF3O2/c1-4-32-25-9-8-20(17-29-10-6-5-7-11-29)14-21(25)16-28-26(31)24(27)15-23-18(2)12-22(30)13-19(23)3;3-2(4,5)1(6)7/h8-9,12-14,24,30H,4-7,10-11,15-17,27H2,1-3H3,(H,28,31);(H,6,7)/t24-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human KOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human DOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50520465 (CHEMBL4443716) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2Cc3ccccc3C2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C29H35N3O3.C2HF3O2/c1-4-35-28-10-9-21(16-32-17-22-7-5-6-8-23(22)18-32)13-24(28)15-31-29(34)27(30)14-26-19(2)11-25(33)12-20(26)3;3-2(4,5)1(6)7/h5-13,27,33H,4,14-18,30H2,1-3H3,(H,31,34);(H,6,7)/t27-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	243	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human KOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50520472 (CHEMBL4437661) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CC3CC3C2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C26H35N3O3.C2HF3O2/c1-4-32-25-6-5-18(13-29-14-20-10-21(20)15-29)9-19(25)12-28-26(31)24(27)11-23-16(2)7-22(30)8-17(23)3;3-2(4,5)1(6)7/h5-9,20-21,24,30H,4,10-15,27H2,1-3H3,(H,28,31);(H,6,7)/t20?,21?,24-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	247	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human KOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50520469 (CHEMBL4443759) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C1 |r| Show InChI InChI=1S/C29H33N3O4.C2HF3O2/c1-4-36-27-10-9-20(29(35)32-16-21-7-5-6-8-22(21)17-32)13-23(27)15-31-28(34)26(30)14-25-18(2)11-24(33)12-19(25)3;3-2(4,5)1(6)7/h5-13,26,33H,4,14-17,30H2,1-3H3,(H,31,34);(H,6,7)/t26-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	261	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human KOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50520466 (CHEMBL4564309) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CCCC2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C25H35N3O3.C2HF3O2/c1-4-31-24-8-7-19(16-28-9-5-6-10-28)13-20(24)15-27-25(30)23(26)14-22-17(2)11-21(29)12-18(22)3;3-2(4,5)1(6)7/h7-8,11-13,23,29H,4-6,9-10,14-16,26H2,1-3H3,(H,27,30);(H,6,7)/t23-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human KOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50520474 (CHEMBL4443773) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C25H33N3O4.C2HF3O2/c1-4-32-23-8-7-18(25(31)28-9-5-6-10-28)13-19(23)15-27-24(30)22(26)14-21-16(2)11-20(29)12-17(21)3;3-2(4,5)1(6)7/h7-8,11-13,22,29H,4-6,9-10,14-15,26H2,1-3H3,(H,27,30);(H,6,7)/t22-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>716	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human KOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50520473 (CHEMBL4453368) Show SMILES CCOc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C27H32N2O3/c1-4-32-26-11-10-21(14-20-8-6-5-7-9-20)15-22(26)17-29-27(31)25(28)16-24-18(2)12-23(30)13-19(24)3/h5-13,15,25,30H,4,14,16-17,28H2,1-3H3,(H,29,31)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human KOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50520475 (CHEMBL4557264) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CCOCC2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C25H35N3O4.C2HF3O2/c1-4-32-24-6-5-19(16-28-7-9-31-10-8-28)13-20(24)15-27-25(30)23(26)14-22-17(2)11-21(29)12-18(22)3;3-2(4,5)1(6)7/h5-6,11-13,23,29H,4,7-10,14-16,26H2,1-3H3,(H,27,30);(H,6,7)/t23-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human KOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	147	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at human MOR expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 1 hr by by liquid scin...				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50520467 (CHEMBL4482942) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CCCCC2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C26H37N3O3.C2HF3O2/c1-4-32-25-9-8-20(17-29-10-6-5-7-11-29)14-21(25)16-28-26(31)24(27)15-23-18(2)12-22(30)13-19(23)3;3-2(4,5)1(6)7/h8-9,12-14,24,30H,4-7,10-11,15-17,27H2,1-3H3,(H,28,31);(H,6,7)/t24-;/m0./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	585	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at human MOR expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 1 hr by by liquid scin...				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50520466 (CHEMBL4564309) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CCCC2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C25H35N3O3.C2HF3O2/c1-4-31-24-8-7-19(16-28-9-5-6-10-28)13-20(24)15-27-25(30)23(26)14-22-17(2)11-21(29)12-18(22)3;3-2(4,5)1(6)7/h7-8,11-13,23,29H,4-6,9-10,14-16,26H2,1-3H3,(H,27,30);(H,6,7)/t23-;/m0./s1	PDB 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	1.36E+3	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at human DOR expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 1 hr by by liquid scin...				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50520470 (CHEMBL4440537) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CCc3ccccc3C2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C30H37N3O3.C2HF3O2/c1-4-36-29-10-9-22(18-33-12-11-23-7-5-6-8-24(23)19-33)15-25(29)17-32-30(35)28(31)16-27-20(2)13-26(34)14-21(27)3;3-2(4,5)1(6)7/h5-10,13-15,28,34H,4,11-12,16-19,31H2,1-3H3,(H,32,35);(H,6,7)/t28-;/m0./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	1.90	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at human MOR expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 1 hr by by liquid scin...				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50520472 (CHEMBL4437661) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CC3CC3C2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C26H35N3O3.C2HF3O2/c1-4-32-25-6-5-18(13-29-14-20-10-21(20)15-29)9-19(25)12-28-26(31)24(27)11-23-16(2)7-22(30)8-17(23)3;3-2(4,5)1(6)7/h5-9,20-21,24,30H,4,10-15,27H2,1-3H3,(H,28,31);(H,6,7)/t20?,21?,24-;/m0./s1	PDB 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	>1.00E+4	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at human KOR expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 1 hr by by liquid scin...				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50520465 (CHEMBL4443716) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2Cc3ccccc3C2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C29H35N3O3.C2HF3O2/c1-4-35-28-10-9-21(16-32-17-22-7-5-6-8-23(22)18-32)13-24(28)15-31-29(34)27(30)14-26-19(2)11-25(33)12-20(26)3;3-2(4,5)1(6)7/h5-13,27,33H,4,14-18,30H2,1-3H3,(H,31,34);(H,6,7)/t27-;/m0./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	8.40	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at human MOR expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 1 hr by by liquid scin...				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50520466 (CHEMBL4564309) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CCCC2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C25H35N3O3.C2HF3O2/c1-4-31-24-8-7-19(16-28-9-5-6-10-28)13-20(24)15-27-25(30)23(26)14-22-17(2)11-21(29)12-18(22)3;3-2(4,5)1(6)7/h7-8,11-13,23,29H,4-6,9-10,14-16,26H2,1-3H3,(H,27,30);(H,6,7)/t23-;/m0./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	168	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at human MOR expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 1 hr by by liquid scin...				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50520471 (CHEMBL4592669) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CNCc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C28H35N3O3.C2HF3O2/c1-4-34-27-11-10-22(17-30-16-21-8-6-5-7-9-21)14-23(27)18-31-28(33)26(29)15-25-19(2)12-24(32)13-20(25)3;3-2(4,5)1(6)7/h5-14,26,30,32H,4,15-18,29H2,1-3H3,(H,31,33);(H,6,7)/t26-;/m0./s1	PDB 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	4.70	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at human DOR expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 1 hr by by liquid scin...				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	>593	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at human DOR expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 1 hr by by liquid scin...				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50520471 (CHEMBL4592669) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CNCc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C28H35N3O3.C2HF3O2/c1-4-34-27-11-10-22(17-30-16-21-8-6-5-7-9-21)14-23(27)18-31-28(33)26(29)15-25-19(2)12-24(32)13-20(25)3;3-2(4,5)1(6)7/h5-14,26,30,32H,4,15-18,29H2,1-3H3,(H,31,33);(H,6,7)/t26-;/m0./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	17	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at human MOR expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 1 hr by by liquid scin...				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50520473 (CHEMBL4453368) Show SMILES CCOc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C27H32N2O3/c1-4-32-26-11-10-21(14-20-8-6-5-7-9-20)15-22(26)17-29-27(31)25(28)16-24-18(2)12-23(30)13-19(24)3/h5-13,15,25,30H,4,14,16-17,28H2,1-3H3,(H,29,31)/t25-/m0/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	72	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at human MOR expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 1 hr by by liquid scin...				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50520472 (CHEMBL4437661) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CC3CC3C2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C26H35N3O3.C2HF3O2/c1-4-32-25-6-5-18(13-29-14-20-10-21(20)15-29)9-19(25)12-28-26(31)24(27)11-23-16(2)7-22(30)8-17(23)3;3-2(4,5)1(6)7/h5-9,20-21,24,30H,4,10-15,27H2,1-3H3,(H,28,31);(H,6,7)/t20?,21?,24-;/m0./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	990	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at human MOR expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 1 hr by by liquid scin...				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50520475 (CHEMBL4557264) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CCOCC2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C25H35N3O4.C2HF3O2/c1-4-32-24-6-5-19(16-28-7-9-31-10-8-28)13-20(24)15-27-25(30)23(26)14-22-17(2)11-21(29)12-18(22)3;3-2(4,5)1(6)7/h5-6,11-13,23,29H,4,7-10,14-16,26H2,1-3H3,(H,27,30);(H,6,7)/t23-;/m0./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	1.02E+3	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at human MOR expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 1 hr by by liquid scin...				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50520468 (CHEMBL4587201) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN(C)Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C29H37N3O3.C2HF3O2/c1-5-35-28-12-11-23(19-32(4)18-22-9-7-6-8-10-22)15-24(28)17-31-29(34)27(30)16-26-20(2)13-25(33)14-21(26)3;3-2(4,5)1(6)7/h6-15,27,33H,5,16-19,30H2,1-4H3,(H,31,34);(H,6,7)/t27-;/m0./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	34	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at human MOR expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 1 hr by by liquid scin...				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair

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