Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50006120   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Delta-type/Kappa-type/Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM82427 (CAS_5985-38-6 | LEVORPHANOL-tartarate) Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r| Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from Sprague-Dawley rat cerebellum opioid receptor assessed as relative receptor affinity by scintillation counting				J Med Chem 21: 600-6 (1978) Article DOI: 10.1021/jm00205a003 BindingDB Entry DOI: 10.7270/Q2WM1HDV
					More data for this Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM82427 (CAS_5985-38-6 | LEVORPHANOL-tartarate) Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r| Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from Sprague-Dawley rat cerebellum opioid receptor assessed as relative receptor affinity by scintillation counting				J Med Chem 21: 600-6 (1978) Article DOI: 10.1021/jm00205a003 BindingDB Entry DOI: 10.7270/Q2WM1HDV
					More data for this Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50497043 (CHEMBL3249802) Show SMILES Cl.[H][C@]12Cc3ccc(O)cc3[C@](CCN1C)([C@H]2C)c1ccccc1 |r,THB:9:10:16:14.12.13,15:14:16:10.4.3| Show InChI InChI=1S/C20H23NO.ClH/c1-14-19-12-15-8-9-17(22)13-18(15)20(14,10-11-21(19)2)16-6-4-3-5-7-16;/h3-9,13-14,19,22H,10-12H2,1-2H3;1H/t14-,19+,20+;/m0./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from Sprague-Dawley rat cerebellum opioid receptor assessed as relative receptor affinity by scintillation counting				J Med Chem 21: 600-6 (1978) Article DOI: 10.1021/jm00205a003 BindingDB Entry DOI: 10.7270/Q2WM1HDV
					More data for this Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50497043 (CHEMBL3249802) Show SMILES Cl.[H][C@]12Cc3ccc(O)cc3[C@](CCN1C)([C@H]2C)c1ccccc1 |r,THB:9:10:16:14.12.13,15:14:16:10.4.3| Show InChI InChI=1S/C20H23NO.ClH/c1-14-19-12-15-8-9-17(22)13-18(15)20(14,10-11-21(19)2)16-6-4-3-5-7-16;/h3-9,13-14,19,22H,10-12H2,1-2H3;1H/t14-,19+,20+;/m0./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from Sprague-Dawley rat cerebellum opioid receptor assessed as relative receptor affinity by scintillation counting				J Med Chem 21: 600-6 (1978) Article DOI: 10.1021/jm00205a003 BindingDB Entry DOI: 10.7270/Q2WM1HDV
					More data for this Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor (Rattus norvegicus (rat))	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from Sprague-Dawley rat cerebellum opioid receptor assessed as relative receptor affinity by scintillation counting				J Med Chem 21: 600-6 (1978) Article DOI: 10.1021/jm00205a003 BindingDB Entry DOI: 10.7270/Q2WM1HDV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Delta-type/Kappa-type/Mu-type opioid receptor (Rattus norvegicus (rat))	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from Sprague-Dawley rat cerebellum opioid receptor assessed as relative receptor affinity by scintillation counting				J Med Chem 21: 600-6 (1978) Article DOI: 10.1021/jm00205a003 BindingDB Entry DOI: 10.7270/Q2WM1HDV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Delta-type/Kappa-type/Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM82507 ((+/-)-Methadone | CAS_5967-73-7 | METHADONE | Meth...) Show SMILES CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from Sprague-Dawley rat cerebellum opioid receptor assessed as relative receptor affinity by scintillation counting				J Med Chem 21: 600-6 (1978) Article DOI: 10.1021/jm00205a003 BindingDB Entry DOI: 10.7270/Q2WM1HDV
					More data for this Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM82507 ((+/-)-Methadone | CAS_5967-73-7 | METHADONE | Meth...) Show SMILES CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from Sprague-Dawley rat cerebellum opioid receptor assessed as relative receptor affinity by scintillation counting				J Med Chem 21: 600-6 (1978) Article DOI: 10.1021/jm00205a003 BindingDB Entry DOI: 10.7270/Q2WM1HDV
					More data for this Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50019056 ((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from Sprague-Dawley rat cerebellum opioid receptor assessed as relative receptor affinity by scintillation counting				J Med Chem 21: 600-6 (1978) Article DOI: 10.1021/jm00205a003 BindingDB Entry DOI: 10.7270/Q2WM1HDV
					More data for this Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50497046 (CHEMBL3249804) Show SMILES [I-].[H][C@]12Cc3ccc(O)cc3[C@](CC[N+]1(C)C)([C@H]2C)c1ccccc1 |r,THB:9:10:17:12.14.13| Show InChI InChI=1S/C21H25NO.HI/c1-15-20-13-16-9-10-18(23)14-19(16)21(15,11-12-22(20,2)3)17-7-5-4-6-8-17;/h4-10,14-15,20H,11-13H2,1-3H3;1H/t15-,20+,21+;/m0./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from Sprague-Dawley rat cerebellum opioid receptor assessed as relative receptor affinity by scintillation counting				J Med Chem 21: 600-6 (1978) Article DOI: 10.1021/jm00205a003 BindingDB Entry DOI: 10.7270/Q2WM1HDV
					More data for this Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50497044 (CHEMBL3249418) Show SMILES OC(C(O)C(O)=O)C(O)=O.CN1CCC2(CC1Cc1ccccc21)c1ccccc1 |TLB:10:11:15:23.18.17,THB:22:23:15:11.13.12| Show InChI InChI=1S/C19H21N.C4H6O6/c1-20-12-11-19(16-8-3-2-4-9-16)14-17(20)13-15-7-5-6-10-18(15)19;5-1(3(7)8)2(6)4(9)10/h2-10,17H,11-14H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from Sprague-Dawley rat cerebellum opioid receptor assessed as relative receptor affinity by scintillation counting				J Med Chem 21: 600-6 (1978) Article DOI: 10.1021/jm00205a003 BindingDB Entry DOI: 10.7270/Q2WM1HDV
					More data for this Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50497044 (CHEMBL3249418) Show SMILES OC(C(O)C(O)=O)C(O)=O.CN1CCC2(CC1Cc1ccccc21)c1ccccc1 |TLB:10:11:15:23.18.17,THB:22:23:15:11.13.12| Show InChI InChI=1S/C19H21N.C4H6O6/c1-20-12-11-19(16-8-3-2-4-9-16)14-17(20)13-15-7-5-6-10-18(15)19;5-1(3(7)8)2(6)4(9)10/h2-10,17H,11-14H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from Sprague-Dawley rat cerebellum opioid receptor assessed as relative receptor affinity by scintillation counting				J Med Chem 21: 600-6 (1978) Article DOI: 10.1021/jm00205a003 BindingDB Entry DOI: 10.7270/Q2WM1HDV
					More data for this Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50001465 ((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from Sprague-Dawley rat cerebellum opioid receptor assessed as relative receptor affinity by scintillation counting				J Med Chem 21: 600-6 (1978) Article DOI: 10.1021/jm00205a003 BindingDB Entry DOI: 10.7270/Q2WM1HDV
					More data for this Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50497044 (CHEMBL3249418) Show SMILES OC(C(O)C(O)=O)C(O)=O.CN1CCC2(CC1Cc1ccccc21)c1ccccc1 |TLB:10:11:15:23.18.17,THB:22:23:15:11.13.12| Show InChI InChI=1S/C19H21N.C4H6O6/c1-20-12-11-19(16-8-3-2-4-9-16)14-17(20)13-15-7-5-6-10-18(15)19;5-1(3(7)8)2(6)4(9)10/h2-10,17H,11-14H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from Sprague-Dawley rat cerebellum opioid receptor assessed as relative receptor affinity by scintillation counting				J Med Chem 21: 600-6 (1978) Article DOI: 10.1021/jm00205a003 BindingDB Entry DOI: 10.7270/Q2WM1HDV
					More data for this Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50497044 (CHEMBL3249418) Show SMILES OC(C(O)C(O)=O)C(O)=O.CN1CCC2(CC1Cc1ccccc21)c1ccccc1 |TLB:10:11:15:23.18.17,THB:22:23:15:11.13.12| Show InChI InChI=1S/C19H21N.C4H6O6/c1-20-12-11-19(16-8-3-2-4-9-16)14-17(20)13-15-7-5-6-10-18(15)19;5-1(3(7)8)2(6)4(9)10/h2-10,17H,11-14H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from Sprague-Dawley rat cerebellum opioid receptor assessed as relative receptor affinity by scintillation counting				J Med Chem 21: 600-6 (1978) Article DOI: 10.1021/jm00205a003 BindingDB Entry DOI: 10.7270/Q2WM1HDV
					More data for this Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50497045 (CHEMBL3249803) Show SMILES Cl.[H][C@@]12Cc3ccc(O)cc3[C@@](CCN1C)([C@@H]2C)c1ccccc1 |r,THB:9:10:16:14.12.13,15:14:16:10.4.3| Show InChI InChI=1S/C20H23NO.ClH/c1-14-19-12-15-8-9-17(22)13-18(15)20(14,10-11-21(19)2)16-6-4-3-5-7-16;/h3-9,13-14,19,22H,10-12H2,1-2H3;1H/t14-,19+,20+;/m1./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from Sprague-Dawley rat cerebellum opioid receptor assessed as relative receptor affinity by scintillation counting				J Med Chem 21: 600-6 (1978) Article DOI: 10.1021/jm00205a003 BindingDB Entry DOI: 10.7270/Q2WM1HDV
					More data for this Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50026752 (1-Methyl-4-phenyl-piperidine-4-carboxylic acid eth...) Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccccc1 Show InChI InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from Sprague-Dawley rat cerebellum opioid receptor assessed as relative receptor affinity by scintillation counting				J Med Chem 21: 600-6 (1978) Article DOI: 10.1021/jm00205a003 BindingDB Entry DOI: 10.7270/Q2WM1HDV
					More data for this Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50497045 (CHEMBL3249803) Show SMILES Cl.[H][C@@]12Cc3ccc(O)cc3[C@@](CCN1C)([C@@H]2C)c1ccccc1 |r,THB:9:10:16:14.12.13,15:14:16:10.4.3| Show InChI InChI=1S/C20H23NO.ClH/c1-14-19-12-15-8-9-17(22)13-18(15)20(14,10-11-21(19)2)16-6-4-3-5-7-16;/h3-9,13-14,19,22H,10-12H2,1-2H3;1H/t14-,19+,20+;/m1./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from Sprague-Dawley rat cerebellum opioid receptor assessed as relative receptor affinity by scintillation counting				J Med Chem 21: 600-6 (1978) Article DOI: 10.1021/jm00205a003 BindingDB Entry DOI: 10.7270/Q2WM1HDV
					More data for this Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50026752 (1-Methyl-4-phenyl-piperidine-4-carboxylic acid eth...) Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccccc1 Show InChI InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from Sprague-Dawley rat cerebellum opioid receptor assessed as relative receptor affinity by scintillation counting				J Med Chem 21: 600-6 (1978) Article DOI: 10.1021/jm00205a003 BindingDB Entry DOI: 10.7270/Q2WM1HDV
					More data for this Ligand-Target Pair