Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50007535   

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))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-U69,593 from KOR in guinea pig brain membranes incubated for 30 mins by liquid scintillation counting				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50510200 (CHEMBL4577032) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@@H](OC)c1ccccc1)[C@H]2C |r,THB:8:9:25:14.13.12,15:14:25:3.9.2| Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50370067 (CHEMBL1237164) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from DOR in rat brain membranes incubated for 45 mins by liquid scintillation counting				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50510200 (CHEMBL4577032) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@@H](OC)c1ccccc1)[C@H]2C |r,THB:8:9:25:14.13.12,15:14:25:3.9.2| Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from DOR in rat brain membranes incubated for 45 mins by liquid scintillation counting				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50510201 (CHEMBL4574757) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@H](OC)c1ccccc1)[C@H]2C |r,THB:8:9:25:14.13.12,15:14:25:3.9.2| Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 Catania Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50510200 (CHEMBL4577032) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@@H](OC)c1ccccc1)[C@H]2C |r,THB:8:9:25:14.13.12,15:14:25:3.9.2| Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22+,23+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-U69,593 from KOR in guinea pig brain membranes incubated for 30 mins by liquid scintillation counting				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50510201 (CHEMBL4574757) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@H](OC)c1ccccc1)[C@H]2C |r,THB:8:9:25:14.13.12,15:14:25:3.9.2| Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from DOR in rat brain membranes incubated for 45 mins by liquid scintillation counting				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50510201 (CHEMBL4574757) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@H](OC)c1ccccc1)[C@H]2C |r,THB:8:9:25:14.13.12,15:14:25:3.9.2| Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22-,23+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	236	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-U69,593 from KOR in guinea pig brain membranes incubated for 30 mins by liquid scintillation counting				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50510200 (CHEMBL4577032) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@@H](OC)c1ccccc1)[C@H]2C |r,THB:8:9:25:14.13.12,15:14:25:3.9.2| Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22+,23+/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	4.70	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Agonist activity at Rluc-tagged MOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to Gbeta1 assessed as increas...				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50269637 (CHEMBL4102093) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CC(OC)c1ccccc1)[C@H]2C |r,THB:15:14:25:9.3.2,8:9:25:14.12.13| Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22?,23+/m0/s1	PDB 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	95	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Agonist activity at Rluc-tagged DOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to Gbeta1 assessed as increas...				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21025 ((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Agonist activity at Rluc-tagged DOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to Gbeta1 assessed as increas...				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50269637 (CHEMBL4102093) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CC(OC)c1ccccc1)[C@H]2C |r,THB:15:14:25:9.3.2,8:9:25:14.12.13| Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22?,23+/m0/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	13	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Agonist activity at Rluc-tagged MOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to Gbeta1 assessed as increas...				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50269637 (CHEMBL4102093) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CC(OC)c1ccccc1)[C@H]2C |r,THB:15:14:25:9.3.2,8:9:25:14.12.13| Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22?,23+/m0/s1	PDB 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	2.24E+3	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Agonist activity at Rluc-tagged DOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to beta-arrestin-2 assessed a...				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50510200 (CHEMBL4577032) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@@H](OC)c1ccccc1)[C@H]2C |r,THB:8:9:25:14.13.12,15:14:25:3.9.2| Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22+,23+/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	32	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Agonist activity at Rluc-tagged DOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to Gbeta1 assessed as increas...				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50269634 (CHEMBL4079574) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@@H](O)c1ccccc1)[C@H]2C |r,THB:8:9:24:14.12.13,15:14:24:9.3.2| Show InChI InChI=1S/C22H27NO2/c1-15-20-12-17-8-9-18(24)13-19(17)22(15,2)10-11-23(20)14-21(25)16-6-4-3-5-7-16/h3-9,13,15,20-21,24-25H,10-12,14H2,1-2H3/t15-,20+,21+,22+/m0/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	6.60	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Agonist activity at Rluc-tagged MOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to Gbeta1 assessed as increas...				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50510200 (CHEMBL4577032) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@@H](OC)c1ccccc1)[C@H]2C |r,THB:8:9:25:14.13.12,15:14:25:3.9.2| Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22+,23+/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	1.86E+3	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Agonist activity at Rluc-tagged DOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to beta-arrestin-2 assessed a...				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50269634 (CHEMBL4079574) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@@H](O)c1ccccc1)[C@H]2C |r,THB:8:9:24:14.12.13,15:14:24:9.3.2| Show InChI InChI=1S/C22H27NO2/c1-15-20-12-17-8-9-18(24)13-19(17)22(15,2)10-11-23(20)14-21(25)16-6-4-3-5-7-16/h3-9,13,15,20-21,24-25H,10-12,14H2,1-2H3/t15-,20+,21+,22+/m0/s1	PDB 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	14	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Agonist activity at Rluc-tagged DOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to Gbeta1 assessed as increas...				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM21025 ((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Agonist activity at Rluc-tagged MOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to MOR/beta-arrestin-2 assess...				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50510200 (CHEMBL4577032) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@@H](OC)c1ccccc1)[C@H]2C |r,THB:8:9:25:14.13.12,15:14:25:3.9.2| Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22+,23+/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	151	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Agonist activity at Rluc-tagged MOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to MOR/beta-arrestin-2 assess...				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50269637 (CHEMBL4102093) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CC(OC)c1ccccc1)[C@H]2C |r,THB:15:14:25:9.3.2,8:9:25:14.12.13| Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22?,23+/m0/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	275	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Agonist activity at Rluc-tagged MOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to MOR/beta-arrestin-2 assess...				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM21025 ((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	129	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Agonist activity at Rluc-tagged MOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to Gbeta1 assessed as increas...				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50269638 (CHEMBL4066846) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@H](O)c1ccccc1)[C@H]2C |r,THB:8:9:24:14.12.13,15:14:24:9.3.2| Show InChI InChI=1S/C22H27NO2/c1-15-20-12-17-8-9-18(24)13-19(17)22(15,2)10-11-23(20)14-21(25)16-6-4-3-5-7-16/h3-9,13,15,20-21,24-25H,10-12,14H2,1-2H3/t15-,20+,21-,22+/m0/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	22	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Agonist activity at Rluc-tagged MOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to Gbeta1 assessed as increas...				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50269638 (CHEMBL4066846) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@H](O)c1ccccc1)[C@H]2C |r,THB:8:9:24:14.12.13,15:14:24:9.3.2| Show InChI InChI=1S/C22H27NO2/c1-15-20-12-17-8-9-18(24)13-19(17)22(15,2)10-11-23(20)14-21(25)16-6-4-3-5-7-16/h3-9,13,15,20-21,24-25H,10-12,14H2,1-2H3/t15-,20+,21-,22+/m0/s1	PDB 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	59	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Agonist activity at Rluc-tagged DOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to Gbeta1 assessed as increas...				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair