Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50044606   

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))	BDBM50316622 ((S)-methyl 4-(2-(3,4-dichlorophenyl)acetyl)-3-((S)...) Show SMILES COC(=O)N1CCN([C@@H](C1)[C@H](C)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C20H27Cl2N3O3/c1-14(23-7-3-4-8-23)18-13-24(20(27)28-2)9-10-25(18)19(26)12-15-5-6-16(21)17(22)11-15/h5-6,11,14,18H,3-4,7-10,12-13H2,1-2H3/t14-,18-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from kappa-opoid receptor in guinea pig brain membrane				Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R
					More data for this Ligand-Target Pair
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
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from kappa-opoid receptor in guinea pig brain membrane				Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50381677 (CHEMBL1256748 | U-69593) Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from kappa-opoid receptor in guinea pig brain membrane				Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50021991 (CHEMBL3299004) Show SMILES [H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C20H27Cl2N3O/c21-15-7-6-14(12-16(15)22)13-19(26)25-11-8-23-17-4-3-5-18(20(17)25)24-9-1-2-10-24/h6-7,12,17-18,20,23H,1-5,8-11,13H2/t17-,18+,20+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from kappa-opoid receptor in guinea pig brain membrane				Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50000788 ((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...) Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from kappa-opoid receptor in guinea pig brain membrane				Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50021987 (CHEMBL3299002) Show SMILES [H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C27H33Cl2N3O/c28-22-12-11-21(17-23(22)29)18-26(33)32-16-15-31(19-20-7-2-1-3-8-20)25-10-6-9-24(27(25)32)30-13-4-5-14-30/h1-3,7-8,11-12,17,24-25,27H,4-6,9-10,13-16,18-19H2/t24-,25+,27+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from kappa-opoid receptor in guinea pig brain membrane				Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50021992 (CHEMBL3299005) Show SMILES [H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C22H29Cl2N3O3/c1-30-22(29)26-11-12-27(20(28)14-15-7-8-16(23)17(24)13-15)21-18(5-4-6-19(21)26)25-9-2-3-10-25/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19+,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from kappa-opoid receptor in guinea pig brain membrane				Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50021986 (CHEMBL3298904) Show SMILES [H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2Cc1ccccc1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C27H35N3O/c31-26(20-22-10-3-1-4-11-22)30-19-18-29(21-23-12-5-2-6-13-23)25-15-9-14-24(27(25)30)28-16-7-8-17-28/h1-6,10-13,24-25,27H,7-9,14-21H2/t24-,25+,27+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from kappa-opoid receptor in guinea pig brain membrane				Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50021995 (CHEMBL3298899) Show SMILES [H][C@@]12CCC[C@H](NCc3ccc(OC)cc3)[C@@]1([H])NC(=O)C(=O)N2Cc1ccc(OC)cc1 |r| Show InChI InChI=1S/C24H29N3O4/c1-30-18-10-6-16(7-11-18)14-25-20-4-3-5-21-22(20)26-23(28)24(29)27(21)15-17-8-12-19(31-2)13-9-17/h6-13,20-22,25H,3-5,14-15H2,1-2H3,(H,26,28)/t20-,21+,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	368	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-Pentazocine from sigma1 receptor in guinea pig brain membrane				Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50021988 (CHEMBL3299003) Show SMILES [H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C20H29N3O/c24-19(15-16-7-2-1-3-8-16)23-14-11-21-17-9-6-10-18(20(17)23)22-12-4-5-13-22/h1-3,7-8,17-18,20-21H,4-6,9-15H2/t17-,18+,20+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	435	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from kappa-opoid receptor in guinea pig brain membrane				Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50021999 (CHEMBL3298900) Show SMILES [H][C@@]12CCC[C@H](NCc3ccc(Cl)cc3)[C@@]1([H])NC(=O)C(=O)N2Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H23Cl2N3O2/c23-16-8-4-14(5-9-16)12-25-18-2-1-3-19-20(18)26-21(28)22(29)27(19)13-15-6-10-17(24)11-7-15/h4-11,18-20,25H,1-3,12-13H2,(H,26,28)/t18-,19+,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	543	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-Pentazocine from sigma1 receptor in guinea pig brain membrane				Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50021992 (CHEMBL3299005) Show SMILES [H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C22H29Cl2N3O3/c1-30-22(29)26-11-12-27(20(28)14-15-7-8-16(23)17(24)13-15)21-18(5-4-6-19(21)26)25-9-2-3-10-25/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19+,21+/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	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-naloxone from human mu-opioid receptor transfected in CHO-K1 cell by scintillation counting				Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50021991 (CHEMBL3299004) Show SMILES [H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C20H27Cl2N3O/c21-15-7-6-14(12-16(15)22)13-19(26)25-11-8-23-17-4-3-5-18(20(17)25)24-9-1-2-10-24/h6-7,12,17-18,20,23H,1-5,8-11,13H2/t17-,18+,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	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-naloxone from human mu-opioid receptor transfected in CHO-K1 cell by scintillation counting				Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50021988 (CHEMBL3299003) Show SMILES [H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C20H29N3O/c24-19(15-16-7-2-1-3-8-16)23-14-11-21-17-9-6-10-18(20(17)23)22-12-4-5-13-22/h1-3,7-8,17-18,20-21H,4-6,9-15H2/t17-,18+,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	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-naloxone from human mu-opioid receptor transfected in CHO-K1 cell by scintillation counting				Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50021987 (CHEMBL3299002) Show SMILES [H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C27H33Cl2N3O/c28-22-12-11-21(17-23(22)29)18-26(33)32-16-15-31(19-20-7-2-1-3-8-20)25-10-6-9-24(27(25)32)30-13-4-5-14-30/h1-3,7-8,11-12,17,24-25,27H,4-6,9-10,13-16,18-19H2/t24-,25+,27+/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	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-naloxone from human mu-opioid receptor transfected in CHO-K1 cell by scintillation counting				Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50021986 (CHEMBL3298904) Show SMILES [H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2Cc1ccccc1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C27H35N3O/c31-26(20-22-10-3-1-4-11-22)30-19-18-29(21-23-12-5-2-6-13-23)25-15-9-14-24(27(25)30)28-16-7-8-17-28/h1-6,10-13,24-25,27H,7-9,14-21H2/t24-,25+,27+/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	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-naloxone from human mu-opioid receptor transfected in CHO-K1 cell by scintillation counting				Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50021992 (CHEMBL3299005) Show SMILES [H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C22H29Cl2N3O3/c1-30-22(29)26-11-12-27(20(28)14-15-7-8-16(23)17(24)13-15)21-18(5-4-6-19(21)26)25-9-2-3-10-25/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19+,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-deltorphin 2 from human delta-opioid receptor transfected in CHO-K1 cell by scintillation counting				Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50021991 (CHEMBL3299004) Show SMILES [H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C20H27Cl2N3O/c21-15-7-6-14(12-16(15)22)13-19(26)25-11-8-23-17-4-3-5-18(20(17)25)24-9-1-2-10-24/h6-7,12,17-18,20,23H,1-5,8-11,13H2/t17-,18+,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-deltorphin 2 from human delta-opioid receptor transfected in CHO-K1 cell by scintillation counting				Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50021987 (CHEMBL3299002) Show SMILES [H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C27H33Cl2N3O/c28-22-12-11-21(17-23(22)29)18-26(33)32-16-15-31(19-20-7-2-1-3-8-20)25-10-6-9-24(27(25)32)30-13-4-5-14-30/h1-3,7-8,11-12,17,24-25,27H,4-6,9-10,13-16,18-19H2/t24-,25+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-deltorphin 2 from human delta-opioid receptor transfected in CHO-K1 cell by scintillation counting				Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50021986 (CHEMBL3298904) Show SMILES [H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2Cc1ccccc1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C27H35N3O/c31-26(20-22-10-3-1-4-11-22)30-19-18-29(21-23-12-5-2-6-13-23)25-15-9-14-24(27(25)30)28-16-7-8-17-28/h1-6,10-13,24-25,27H,7-9,14-21H2/t24-,25+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-deltorphin 2 from human delta-opioid receptor transfected in CHO-K1 cell by scintillation counting				Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50021988 (CHEMBL3299003) Show SMILES [H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C20H29N3O/c24-19(15-16-7-2-1-3-8-16)23-14-11-21-17-9-6-10-18(20(17)23)22-12-4-5-13-22/h1-3,7-8,17-18,20-21H,4-6,9-15H2/t17-,18+,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-deltorphin 2 from human delta-opioid receptor transfected in CHO-K1 cell by scintillation counting				Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50021987 (CHEMBL3299002) Show SMILES [H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C27H33Cl2N3O/c28-22-12-11-21(17-23(22)29)18-26(33)32-16-15-31(19-20-7-2-1-3-8-20)25-10-6-9-24(27(25)32)30-13-4-5-14-30/h1-3,7-8,11-12,17,24-25,27H,4-6,9-10,13-16,18-19H2/t24-,25+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	490	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Agonist activity at recombinant kappa-opioid receptor in human HEK293 cells by [35S]-GTP-gammaS binding assay				Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50381677 (CHEMBL1256748 | U-69593) Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	80	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Agonist activity at recombinant kappa-opioid receptor in human HEK293 cells by [35S]-GTP-gammaS binding assay				Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R
					More data for this Ligand-Target Pair