Compile Data Set for Download or QSAR

Found 192 hits with Last Name = 'stergiades' and Initial = 'i'   

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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50242686 (CHEMBL4077003) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2CC(=O)C1CCCCC1 |r,@@:7,TLB:9:7:3.2:16| Show InChI InChI=1S/C21H29NO2/c23-20-8-4-7-16(13-20)17-11-18-9-10-19(12-17)22(18)14-21(24)15-5-2-1-3-6-15/h4,7-8,13,15,17-19,23H,1-3,5-6,9-12,14H2/t18-,19-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50242686 (CHEMBL4077003) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2CC(=O)C1CCCCC1 |r,@@:7,TLB:9:7:3.2:16| Show InChI InChI=1S/C21H29NO2/c23-20-8-4-7-16(13-20)17-11-18-9-10-19(12-17)22(18)14-21(24)15-5-2-1-3-6-15/h4,7-8,13,15,17-19,23H,1-3,5-6,9-12,14H2/t18-,19-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50242673 (CHEMBL4092037) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2CCCc1ccccc1 |r,@@:7,TLB:9:7:3.2:16| Show InChI InChI=1S/C22H27NO/c24-22-10-4-9-18(16-22)19-14-20-11-12-21(15-19)23(20)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16,19-21,24H,5,8,11-15H2/t20-,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	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529514 (CHEMBL3906031) Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(Cc1ccccc1)C(=O)CO |r| Show InChI InChI=1S/C25H31N3O3/c26-25(31)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)28(22)12-11-27(24(30)17-29)16-18-5-2-1-3-6-18/h1-8,13,21-23,29H,9-12,14-17H2,(H2,26,31)/t21-,22+,23-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50242683 (CHEMBL4084184) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2Cc1ccc(cc1)C(C)(C)C |r,@@:7,TLB:9:7:3.2:16| Show InChI InChI=1S/C24H31NO/c1-24(2,3)20-9-7-17(8-10-20)16-25-21-11-12-22(25)14-19(13-21)18-5-4-6-23(26)15-18/h4-10,15,19,21-22,26H,11-14,16H2,1-3H3/t21-,22-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50242683 (CHEMBL4084184) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2Cc1ccc(cc1)C(C)(C)C |r,@@:7,TLB:9:7:3.2:16| Show InChI InChI=1S/C24H31NO/c1-24(2,3)20-9-7-17(8-10-20)16-25-21-11-12-22(25)14-19(13-21)18-5-4-6-23(26)15-18/h4-10,15,19,21-22,26H,11-14,16H2,1-3H3/t21-,22-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50242684 (CHEMBL4067358) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2Cc1ccc(cc1)C(C)(C)C |r,@:7,TLB:9:7:3.2:18| Show InChI InChI=1S/C25H32N2O/c1-25(2,3)21-9-7-17(8-10-21)16-27-22-11-12-23(27)15-20(14-22)18-5-4-6-19(13-18)24(26)28/h4-10,13,20,22-23H,11-12,14-16H2,1-3H3,(H2,26,28)/t22-,23-/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	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50242686 (CHEMBL4077003) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2CC(=O)C1CCCCC1 |r,@@:7,TLB:9:7:3.2:16| Show InChI InChI=1S/C21H29NO2/c23-20-8-4-7-16(13-20)17-11-18-9-10-19(12-17)22(18)14-21(24)15-5-2-1-3-6-15/h4,7-8,13,15,17-19,23H,1-3,5-6,9-12,14H2/t18-,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	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50242673 (CHEMBL4092037) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2CCCc1ccccc1 |r,@@:7,TLB:9:7:3.2:16| Show InChI InChI=1S/C22H27NO/c24-22-10-4-9-18(16-22)19-14-20-11-12-21(15-19)23(20)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16,19-21,24H,5,8,11-15H2/t20-,21-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50242683 (CHEMBL4084184) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2Cc1ccc(cc1)C(C)(C)C |r,@@:7,TLB:9:7:3.2:16| Show InChI InChI=1S/C24H31NO/c1-24(2,3)20-9-7-17(8-10-20)16-25-21-11-12-22(25)14-19(13-21)18-5-4-6-23(26)15-18/h4-10,15,19,21-22,26H,11-14,16H2,1-3H3/t21-,22-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50242684 (CHEMBL4067358) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2Cc1ccc(cc1)C(C)(C)C |r,@:7,TLB:9:7:3.2:18| Show InChI InChI=1S/C25H32N2O/c1-25(2,3)21-9-7-17(8-10-21)16-27-22-11-12-23(27)15-20(14-22)18-5-4-6-19(13-18)24(26)28/h4-10,13,20,22-23H,11-12,14-16H2,1-3H3,(H2,26,28)/t22-,23-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50242684 (CHEMBL4067358) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2Cc1ccc(cc1)C(C)(C)C |r,@:7,TLB:9:7:3.2:18| Show InChI InChI=1S/C25H32N2O/c1-25(2,3)21-9-7-17(8-10-21)16-27-22-11-12-23(27)15-20(14-22)18-5-4-6-19(13-18)24(26)28/h4-10,13,20,22-23H,11-12,14-16H2,1-3H3,(H2,26,28)/t22-,23-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50242687 (CHEMBL4062974) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2CC(=O)C1CCCCC1 |r,@@:7,TLB:9:7:3.2:18| Show InChI InChI=1S/C22H30N2O2/c23-22(26)17-8-4-7-16(11-17)18-12-19-9-10-20(13-18)24(19)14-21(25)15-5-2-1-3-6-15/h4,7-8,11,15,18-20H,1-3,5-6,9-10,12-14H2,(H2,23,26)/t19-,20-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50242687 (CHEMBL4062974) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2CC(=O)C1CCCCC1 |r,@@:7,TLB:9:7:3.2:18| Show InChI InChI=1S/C22H30N2O2/c23-22(26)17-8-4-7-16(11-17)18-12-19-9-10-20(13-18)24(19)14-21(25)15-5-2-1-3-6-15/h4,7-8,11,15,18-20H,1-3,5-6,9-10,12-14H2,(H2,23,26)/t19-,20-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50242683 (CHEMBL4084184) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2Cc1ccc(cc1)C(C)(C)C |r,@@:7,TLB:9:7:3.2:16| Show InChI InChI=1S/C24H31NO/c1-24(2,3)20-9-7-17(8-10-20)16-25-21-11-12-22(25)14-19(13-21)18-5-4-6-23(26)15-18/h4-10,15,19,21-22,26H,11-14,16H2,1-3H3/t21-,22-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50242690 (CHEMBL4071120) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2CCCOc1ccccc1 |r,@@:7,TLB:9:7:16:2.3| Show InChI InChI=1S/C22H27NO2/c24-21-7-4-6-17(16-21)18-14-19-10-11-20(15-18)23(19)12-5-13-25-22-8-2-1-3-9-22/h1-4,6-9,16,18-20,24H,5,10-15H2/t19-,20-/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	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50242686 (CHEMBL4077003) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2CC(=O)C1CCCCC1 |r,@@:7,TLB:9:7:3.2:16| Show InChI InChI=1S/C21H29NO2/c23-20-8-4-7-16(13-20)17-11-18-9-10-19(12-17)22(18)14-21(24)15-5-2-1-3-6-15/h4,7-8,13,15,17-19,23H,1-3,5-6,9-12,14H2/t18-,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	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50242673 (CHEMBL4092037) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2CCCc1ccccc1 |r,@@:7,TLB:9:7:3.2:16| Show InChI InChI=1S/C22H27NO/c24-22-10-4-9-18(16-22)19-14-20-11-12-21(15-19)23(20)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16,19-21,24H,5,8,11-15H2/t20-,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	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50242690 (CHEMBL4071120) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2CCCOc1ccccc1 |r,@@:7,TLB:9:7:16:2.3| Show InChI InChI=1S/C22H27NO2/c24-21-7-4-6-17(16-21)18-14-19-10-11-20(15-18)23(19)12-5-13-25-22-8-2-1-3-9-22/h1-4,6-9,16,18-20,24H,5,10-15H2/t19-,20-/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	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]NANM of sigma receptor in Guinea pig brain membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50242684 (CHEMBL4067358) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2Cc1ccc(cc1)C(C)(C)C |r,@:7,TLB:9:7:3.2:18| Show InChI InChI=1S/C25H32N2O/c1-25(2,3)21-9-7-17(8-10-21)16-27-22-11-12-23(27)15-20(14-22)18-5-4-6-19(13-18)24(26)28/h4-10,13,20,22-23H,11-12,14-16H2,1-3H3,(H2,26,28)/t22-,23-/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	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Inhibition of specific binding of [125I]PIPAG to sigma receptor in Guinea pig brain membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529518 (CHEMBL4463675) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCCN(CC(CC)CC)C(=O)CO |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C25H39N3O3/c1-3-18(4-2)16-27(24(30)17-29)11-6-12-28-22-9-10-23(28)15-21(14-22)19-7-5-8-20(13-19)25(26)31/h5,7-8,13,18,21-23,29H,3-4,6,9-12,14-17H2,1-2H3,(H2,26,31)/t21-,22+,23-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529515 (CHEMBL3919761) Show SMILES CS(=O)(=O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1 |r| Show InChI InChI=1S/C26H39N3O4S/c1-34(32,33)18-25(30)28(17-19-6-3-2-4-7-19)12-13-29-23-10-11-24(29)16-22(15-23)20-8-5-9-21(14-20)26(27)31/h5,8-9,14,19,22-24H,2-4,6-7,10-13,15-18H2,1H3,(H2,27,31)/t22-,23+,24-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529509 (CHEMBL4467513) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)C(C)=O |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C25H37N3O2/c1-18(29)27(17-19-6-3-2-4-7-19)12-13-28-23-10-11-24(28)16-22(15-23)20-8-5-9-21(14-20)25(26)30/h5,8-9,14,19,22-24H,2-4,6-7,10-13,15-17H2,1H3,(H2,26,30)/t22-,23+,24-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50045758 (3-[3,4-Dimethyl-1-(3-phenyl-propyl)-piperidin-4-yl...) Show SMILES C[C@H]1CN(CCCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C22H29NO/c1-18-17-23(14-7-10-19-8-4-3-5-9-19)15-13-22(18,2)20-11-6-12-21(24)16-20/h3-6,8-9,11-12,16,18,24H,7,10,13-15,17H2,1-2H3/t18-,22+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50529515 (CHEMBL3919761) Show SMILES CS(=O)(=O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1 |r| Show InChI InChI=1S/C26H39N3O4S/c1-34(32,33)18-25(30)28(17-19-6-3-2-4-7-19)12-13-29-23-10-11-24(29)16-22(15-23)20-8-5-9-21(14-20)26(27)31/h5,8-9,14,19,22-24H,2-4,6-7,10-13,15-18H2,1H3,(H2,27,31)/t22-,23+,24-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529522 (CHEMBL4471516) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)C(=O)c1ccco1 |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C28H37N3O3/c29-27(32)22-9-4-8-21(16-22)23-17-24-11-12-25(18-23)31(24)14-13-30(19-20-6-2-1-3-7-20)28(33)26-10-5-15-34-26/h4-5,8-10,15-16,20,23-25H,1-3,6-7,11-14,17-19H2,(H2,29,32)/t23-,24+,25-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529505 (CHEMBL3954068) Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCCC1)C(=O)CO |r| Show InChI InChI=1S/C25H37N3O3/c26-25(31)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)28(22)12-11-27(24(30)17-29)16-18-5-2-1-3-6-18/h4,7-8,13,18,21-23,29H,1-3,5-6,9-12,14-17H2,(H2,26,31)/t21-,22+,23-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50529522 (CHEMBL4471516) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)C(=O)c1ccco1 |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C28H37N3O3/c29-27(32)22-9-4-8-21(16-22)23-17-24-11-12-25(18-23)31(24)14-13-30(19-20-6-2-1-3-7-20)28(33)26-10-5-15-34-26/h4-5,8-10,15-16,20,23-25H,1-3,6-7,11-14,17-19H2,(H2,29,32)/t23-,24+,25-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50242673 (CHEMBL4092037) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2CCCc1ccccc1 |r,@@:7,TLB:9:7:3.2:16| Show InChI InChI=1S/C22H27NO/c24-22-10-4-9-18(16-22)19-14-20-11-12-21(15-19)23(20)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16,19-21,24H,5,8,11-15H2/t20-,21-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50242676 (CHEMBL4059786) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2CCCc1ccccc1 |r,@:7,TLB:9:7:3.2:18| Show InChI InChI=1S/C23H28N2O/c24-23(26)19-10-4-9-18(14-19)20-15-21-11-12-22(16-20)25(21)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,14,20-22H,5,8,11-13,15-16H2,(H2,24,26)/t21-,22-/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	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529519 (CHEMBL3910689) Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCC(F)(F)CC1)C(=O)CO |r| Show InChI InChI=1S/C25H35F2N3O3/c26-25(27)8-6-17(7-9-25)15-29(23(32)16-31)10-11-30-21-4-5-22(30)14-20(13-21)18-2-1-3-19(12-18)24(28)33/h1-3,12,17,20-22,31H,4-11,13-16H2,(H2,28,33)/t20-,21+,22-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50529505 (CHEMBL3954068) Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCCC1)C(=O)CO |r| Show InChI InChI=1S/C25H37N3O3/c26-25(31)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)28(22)12-11-27(24(30)17-29)16-18-5-2-1-3-6-18/h4,7-8,13,18,21-23,29H,1-3,5-6,9-12,14-17H2,(H2,26,31)/t21-,22+,23-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50529509 (CHEMBL4467513) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)C(C)=O |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C25H37N3O2/c1-18(29)27(17-19-6-3-2-4-7-19)12-13-28-23-10-11-24(28)16-22(15-23)20-8-5-9-21(14-20)25(26)30/h5,8-9,14,19,22-24H,2-4,6-7,10-13,15-17H2,1H3,(H2,26,30)/t22-,23+,24-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50529499 (Axelopran sulfate | TD-1211 Sulfate) Show SMILES OS(O)(=O)=O.[H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)C(=O)[C@@H](O)CO |r,TLB:14:12:23:7.8| Show InChI InChI=1S/C26H39N3O4.H2O4S/c27-25(32)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)29(22)12-11-28(26(33)24(31)17-30)16-18-5-2-1-3-6-18;1-5(2,3)4/h4,7-8,13,18,21-24,30-31H,1-3,5-6,9-12,14-17H2,(H2,27,32);(H2,1,2,3,4)/t21-,22+,23-,24-;/m0./s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529520 (CHEMBL4520212) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)C(=O)OC |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C25H37N3O3/c1-31-25(30)27(17-18-6-3-2-4-7-18)12-13-28-22-10-11-23(28)16-21(15-22)19-8-5-9-20(14-19)24(26)29/h5,8-9,14,18,21-23H,2-4,6-7,10-13,15-17H2,1H3,(H2,26,29)/t21-,22+,23-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529508 (CHEMBL4567073) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)C(=O)C(C)(C)C |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C28H43N3O2/c1-28(2,3)27(33)30(19-20-8-5-4-6-9-20)14-15-31-24-12-13-25(31)18-23(17-24)21-10-7-11-22(16-21)26(29)32/h7,10-11,16,20,23-25H,4-6,8-9,12-15,17-19H2,1-3H3,(H2,29,32)/t23-,24+,25-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50529496 (CHEMBL4468796) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC(CC)CC)C(=O)CO |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C24H37N3O3/c1-3-17(4-2)15-26(23(29)16-28)10-11-27-21-8-9-22(27)14-20(13-21)18-6-5-7-19(12-18)24(25)30/h5-7,12,17,20-22,28H,3-4,8-11,13-16H2,1-2H3,(H2,25,30)/t20-,21+,22-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50242676 (CHEMBL4059786) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2CCCc1ccccc1 |r,@:7,TLB:9:7:3.2:18| Show InChI InChI=1S/C23H28N2O/c24-23(26)19-10-4-9-18(14-19)20-15-21-11-12-22(16-20)25(21)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,14,20-22H,5,8,11-13,15-16H2,(H2,24,26)/t21-,22-/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	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50242687 (CHEMBL4062974) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2CC(=O)C1CCCCC1 |r,@@:7,TLB:9:7:3.2:18| Show InChI InChI=1S/C22H30N2O2/c23-22(26)17-8-4-7-16(11-17)18-12-19-9-10-20(13-18)24(19)14-21(25)15-5-2-1-3-6-15/h4,7-8,11,15,18-20H,1-3,5-6,9-10,12-14H2,(H2,23,26)/t19-,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]DTG to sigma binding site in Guinea pig brain membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50242687 (CHEMBL4062974) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2CC(=O)C1CCCCC1 |r,@@:7,TLB:9:7:3.2:18| Show InChI InChI=1S/C22H30N2O2/c23-22(26)17-8-4-7-16(11-17)18-12-19-9-10-20(13-18)24(19)14-21(25)15-5-2-1-3-6-15/h4,7-8,11,15,18-20H,1-3,5-6,9-10,12-14H2,(H2,23,26)/t19-,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50242676 (CHEMBL4059786) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2CCCc1ccccc1 |r,@:7,TLB:9:7:3.2:18| Show InChI InChI=1S/C23H28N2O/c24-23(26)19-10-4-9-18(14-19)20-15-21-11-12-22(16-20)25(21)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,14,20-22H,5,8,11-13,15-16H2,(H2,24,26)/t21-,22-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529496 (CHEMBL4468796) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC(CC)CC)C(=O)CO |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C24H37N3O3/c1-3-17(4-2)15-26(23(29)16-28)10-11-27-21-8-9-22(27)14-20(13-21)18-6-5-7-19(12-18)24(25)30/h5-7,12,17,20-22,28H,3-4,8-11,13-16H2,1-2H3,(H2,25,30)/t20-,21+,22-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50529508 (CHEMBL4567073) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)C(=O)C(C)(C)C |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C28H43N3O2/c1-28(2,3)27(33)30(19-20-8-5-4-6-9-20)14-15-31-24-12-13-25(31)18-23(17-24)21-10-7-11-22(16-21)26(29)32/h7,10-11,16,20,23-25H,4-6,8-9,12-15,17-19H2,1-3H3,(H2,29,32)/t23-,24+,25-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50529510 (CHEMBL4474822) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCNCC1CCCCC1 |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C23H35N3O/c24-23(27)19-8-4-7-18(13-19)20-14-21-9-10-22(15-20)26(21)12-11-25-16-17-5-2-1-3-6-17/h4,7-8,13,17,20-22,25H,1-3,5-6,9-12,14-16H2,(H2,24,27)/t20-,21+,22-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529499 (Axelopran sulfate | TD-1211 Sulfate) Show SMILES OS(O)(=O)=O.[H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)C(=O)[C@@H](O)CO |r,TLB:14:12:23:7.8| Show InChI InChI=1S/C26H39N3O4.H2O4S/c27-25(32)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)29(22)12-11-28(26(33)24(31)17-30)16-18-5-2-1-3-6-18;1-5(2,3)4/h4,7-8,13,18,21-24,30-31H,1-3,5-6,9-12,14-17H2,(H2,27,32);(H2,1,2,3,4)/t21-,22+,23-,24-;/m0./s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50242672 (CHEMBL4071225) Show SMILES Oc1cccc(c1)C1CC2CCC(C1)N2CCCc1ccccc1 |TLB:5:7:10.11:14| Show InChI InChI=1S/C22H27NO/c24-22-10-4-9-18(16-22)19-14-20-11-12-21(15-19)23(20)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16,19-21,24H,5,8,11-15H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50529507 (CHEMBL3971059) Show SMILES CC(C)NC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1 |r| Show InChI InChI=1S/C27H42N4O2/c1-19(2)29-27(33)30(18-20-7-4-3-5-8-20)13-14-31-24-11-12-25(31)17-23(16-24)21-9-6-10-22(15-21)26(28)32/h6,9-10,15,19-20,23-25H,3-5,7-8,11-14,16-18H2,1-2H3,(H2,28,32)(H,29,33)/t23-,24+,25-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50242678 (CHEMBL4062483) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2CCCOc1ccccc1 |r,@@:7,TLB:9:7:18:2.3| Show InChI InChI=1S/C23H28N2O2/c24-23(26)18-7-4-6-17(14-18)19-15-20-10-11-21(16-19)25(20)12-5-13-27-22-8-2-1-3-9-22/h1-4,6-9,14,19-21H,5,10-13,15-16H2,(H2,24,26)/t20-,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	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529516 (CHEMBL3990868) Show SMILES CN(C)S(=O)(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1 |r| Show InChI InChI=1S/C25H40N4O3S/c1-27(2)33(31,32)28(18-19-7-4-3-5-8-19)13-14-29-23-11-12-24(29)17-22(16-23)20-9-6-10-21(15-20)25(26)30/h6,9-10,15,19,22-24H,3-5,7-8,11-14,16-18H2,1-2H3,(H2,26,30)/t22-,23+,24-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 192 total )  |  Next  |  Last  >>

Jump to: