Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50037194   

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 (Rattus norvegicus (rat))	BDBM50133226 (15-methoxy-3-methyl-19-(1-methylbutyl)-13-oxa-3-az...) Show SMILES CCC[C@H](C)C1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4cccc5C[C@H]2N(C)CC[C@@]31c45 |wU:21.23,wD:13.14,26.30,7.7,10.11,3.3,c:8,(-6.72,-4.49,;-6.72,-3.27,;-7.83,-2.27,;-7.83,-.96,;-9.4,-.96,;-6.2,-.93,;-5.43,-2.25,;-3.89,-2.25,;-4.15,-.92,;-5.15,-.92,;-5.48,.41,;-6.13,1.56,;-7.77,1.56,;-3.91,.41,;-2.42,1.4,;-.81,.42,;.75,.42,;1.52,-.93,;.75,-2.25,;-.81,-2.25,;-1.6,-3.58,;-3.15,-3.58,;-3.75,-4.85,;-3.75,-6.7,;-2.31,-4.85,;-2.31,-2.04,;-3.17,-.92,;-1.6,-.92,)| Show InChI InChI=1S/C25H33NO2/c1-5-7-16(2)18-15-23-10-11-25(18,27-4)22-24(23)12-13-26(3)20(23)14-17-8-6-9-19(28-22)21(17)24/h6,8-11,16,18,20,22H,5,7,12-15H2,1-4H3/t16-,18?,20+,22+,23+,24-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 isolated from rat brain membarane was determined using [3H]U-69593 as radioligand				J Med Chem 46: 4182-7 (2003) Article DOI: 10.1021/jm030878b BindingDB Entry DOI: 10.7270/Q22V2GVM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50133224 (10-hydroxy-4,13-dimethyl-17-(3-phenylpropoxy)-12-o...) Show SMILES CCC[C@]12c3c4O[C@@]1(C)C(=O)C=C[C@@]2(OCCCc1ccccc1)C(Cc3ccc4O)NC |c:12| Show InChI InChI=1S/C28H33NO4/c1-4-15-27-24-20-12-13-21(30)25(24)33-26(27,2)23(31)14-16-28(27,22(18-20)29-3)32-17-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-14,16,22,29-30H,4,8,11,15,17-18H2,1-3H3/t22?,26-,27-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1 isolated from rat brain membarane was determined using [3H][Ile]-deltorphin as radioligand				J Med Chem 46: 4182-7 (2003) Article DOI: 10.1021/jm030878b BindingDB Entry DOI: 10.7270/Q22V2GVM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50133227 (10,17-dimethoxy-4,13-dimethyl-12-oxa-4-azapentacyc...) Show SMILES CCC[C@]12c3c4O[C@@]1(C)C(=O)CC[C@@]2(OC)C(Cc3ccc4OC)NC Show InChI InChI=1S/C21H29NO4/c1-6-10-20-17-13-7-8-14(24-4)18(17)26-19(20,2)16(23)9-11-21(20,25-5)15(12-13)22-3/h7-8,15,22H,6,9-12H2,1-5H3/t15?,19-,20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 isolated from rat brain membarane was determined using [3H]DAMGO as radioligand				J Med Chem 46: 4182-7 (2003) Article DOI: 10.1021/jm030878b BindingDB Entry DOI: 10.7270/Q22V2GVM
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50367123 (ETORPHINE | M99) Show SMILES CCC[C@](C)(O)[C@H]1C[C@]23C=C[C@]1(O)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4O |c:9,TLB:3:6:9.10:24.13,THB:7:8:16.17.18:20.23.22,9:8:16.17.18:20.23.22| Show InChI InChI=1S/C24H31NO4/c1-4-7-21(2,27)16-13-22-8-9-24(16,28)20-23(22)10-11-25(3)17(22)12-14-5-6-15(26)19(29-20)18(14)23/h5-6,8-9,16-17,20,26-28H,4,7,10-13H2,1-3H3/t16-,17-,20-,21+,22-,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 isolated from rat brain membarane was determined using [3H]U-69593 as radioligand				J Med Chem 46: 4182-7 (2003) Article DOI: 10.1021/jm030878b BindingDB Entry DOI: 10.7270/Q22V2GVM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50133226 (15-methoxy-3-methyl-19-(1-methylbutyl)-13-oxa-3-az...) Show SMILES CCC[C@H](C)C1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4cccc5C[C@H]2N(C)CC[C@@]31c45 |wU:21.23,wD:13.14,26.30,7.7,10.11,3.3,c:8,(-6.72,-4.49,;-6.72,-3.27,;-7.83,-2.27,;-7.83,-.96,;-9.4,-.96,;-6.2,-.93,;-5.43,-2.25,;-3.89,-2.25,;-4.15,-.92,;-5.15,-.92,;-5.48,.41,;-6.13,1.56,;-7.77,1.56,;-3.91,.41,;-2.42,1.4,;-.81,.42,;.75,.42,;1.52,-.93,;.75,-2.25,;-.81,-2.25,;-1.6,-3.58,;-3.15,-3.58,;-3.75,-4.85,;-3.75,-6.7,;-2.31,-4.85,;-2.31,-2.04,;-3.17,-.92,;-1.6,-.92,)| Show InChI InChI=1S/C25H33NO2/c1-5-7-16(2)18-15-23-10-11-25(18,27-4)22-24(23)12-13-26(3)20(23)14-17-8-6-9-19(28-22)21(17)24/h6,8-11,16,18,20,22H,5,7,12-15H2,1-4H3/t16-,18?,20+,22+,23+,24-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 isolated from rat brain membarane was determined using [3H]DAMGO as radioligand				J Med Chem 46: 4182-7 (2003) Article DOI: 10.1021/jm030878b BindingDB Entry DOI: 10.7270/Q22V2GVM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50133224 (10-hydroxy-4,13-dimethyl-17-(3-phenylpropoxy)-12-o...) Show SMILES CCC[C@]12c3c4O[C@@]1(C)C(=O)C=C[C@@]2(OCCCc1ccccc1)C(Cc3ccc4O)NC |c:12| Show InChI InChI=1S/C28H33NO4/c1-4-15-27-24-20-12-13-21(30)25(24)33-26(27,2)23(31)14-16-28(27,22(18-20)29-3)32-17-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-14,16,22,29-30H,4,8,11,15,17-18H2,1-3H3/t22?,26-,27-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 isolated from rat brain membarane was determined using [3H]DAMGO as radioligand				J Med Chem 46: 4182-7 (2003) Article DOI: 10.1021/jm030878b BindingDB Entry DOI: 10.7270/Q22V2GVM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50133226 (15-methoxy-3-methyl-19-(1-methylbutyl)-13-oxa-3-az...) Show SMILES CCC[C@H](C)C1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4cccc5C[C@H]2N(C)CC[C@@]31c45 |wU:21.23,wD:13.14,26.30,7.7,10.11,3.3,c:8,(-6.72,-4.49,;-6.72,-3.27,;-7.83,-2.27,;-7.83,-.96,;-9.4,-.96,;-6.2,-.93,;-5.43,-2.25,;-3.89,-2.25,;-4.15,-.92,;-5.15,-.92,;-5.48,.41,;-6.13,1.56,;-7.77,1.56,;-3.91,.41,;-2.42,1.4,;-.81,.42,;.75,.42,;1.52,-.93,;.75,-2.25,;-.81,-2.25,;-1.6,-3.58,;-3.15,-3.58,;-3.75,-4.85,;-3.75,-6.7,;-2.31,-4.85,;-2.31,-2.04,;-3.17,-.92,;-1.6,-.92,)| Show InChI InChI=1S/C25H33NO2/c1-5-7-16(2)18-15-23-10-11-25(18,27-4)22-24(23)12-13-26(3)20(23)14-17-8-6-9-19(28-22)21(17)24/h6,8-11,16,18,20,22H,5,7,12-15H2,1-4H3/t16-,18?,20+,22+,23+,24-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1 isolated from rat brain membarane was determined using [3H][Ile]-deltorphin as radioligand				J Med Chem 46: 4182-7 (2003) Article DOI: 10.1021/jm030878b BindingDB Entry DOI: 10.7270/Q22V2GVM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50367123 (ETORPHINE | M99) Show SMILES CCC[C@](C)(O)[C@H]1C[C@]23C=C[C@]1(O)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4O |c:9,TLB:3:6:9.10:24.13,THB:7:8:16.17.18:20.23.22,9:8:16.17.18:20.23.22| Show InChI InChI=1S/C24H31NO4/c1-4-7-21(2,27)16-13-22-8-9-24(16,28)20-23(22)10-11-25(3)17(22)12-14-5-6-15(26)19(29-20)18(14)23/h5-6,8-9,16-17,20,26-28H,4,7,10-13H2,1-3H3/t16-,17-,20-,21+,22-,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 isolated from rat brain membarane was determined using [3H]DAMGO as radioligand				J Med Chem 46: 4182-7 (2003) Article DOI: 10.1021/jm030878b BindingDB Entry DOI: 10.7270/Q22V2GVM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50367123 (ETORPHINE | M99) Show SMILES CCC[C@](C)(O)[C@H]1C[C@]23C=C[C@]1(O)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4O |c:9,TLB:3:6:9.10:24.13,THB:7:8:16.17.18:20.23.22,9:8:16.17.18:20.23.22| Show InChI InChI=1S/C24H31NO4/c1-4-7-21(2,27)16-13-22-8-9-24(16,28)20-23(22)10-11-25(3)17(22)12-14-5-6-15(26)19(29-20)18(14)23/h5-6,8-9,16-17,20,26-28H,4,7,10-13H2,1-3H3/t16-,17-,20-,21+,22-,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1 isolated from rat brain membarane was determined using [3H][Ile]-deltorphin as radioligand				J Med Chem 46: 4182-7 (2003) Article DOI: 10.1021/jm030878b BindingDB Entry DOI: 10.7270/Q22V2GVM
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50133224 (10-hydroxy-4,13-dimethyl-17-(3-phenylpropoxy)-12-o...) Show SMILES CCC[C@]12c3c4O[C@@]1(C)C(=O)C=C[C@@]2(OCCCc1ccccc1)C(Cc3ccc4O)NC |c:12| Show InChI InChI=1S/C28H33NO4/c1-4-15-27-24-20-12-13-21(30)25(24)33-26(27,2)23(31)14-16-28(27,22(18-20)29-3)32-17-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-14,16,22,29-30H,4,8,11,15,17-18H2,1-3H3/t22?,26-,27-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 isolated from rat brain membarane was determined using [3H]U-69593 as radioligand				J Med Chem 46: 4182-7 (2003) Article DOI: 10.1021/jm030878b BindingDB Entry DOI: 10.7270/Q22V2GVM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50133225 (10-methoxy-4,13-dimethyl-17-(3-phenylpropoxy)-12-o...) Show SMILES CCC[C@]12c3c4O[C@@]1(C)C(=O)C=C[C@@]2(OCCCc1ccccc1)C(Cc3ccc4OC)NC |c:12| Show InChI InChI=1S/C29H35NO4/c1-5-16-28-25-21-13-14-22(32-4)26(25)34-27(28,2)24(31)15-17-29(28,23(19-21)30-3)33-18-9-12-20-10-7-6-8-11-20/h6-8,10-11,13-15,17,23,30H,5,9,12,16,18-19H2,1-4H3/t23?,27-,28-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 isolated from rat brain membarane was determined using [3H]DAMGO as radioligand				J Med Chem 46: 4182-7 (2003) Article DOI: 10.1021/jm030878b BindingDB Entry DOI: 10.7270/Q22V2GVM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50133223 (3,4-dimethoxy-14,17-dimethyl-10-(3-phenylpropoxy)-...) Show SMILES CCC[C@]12[C@H](C)C(=O)C=C[C@@]1(OCCCc1ccccc1)C(Cc1ccc(OC)c(OC)c21)NC |c:8| Show InChI InChI=1S/C30H39NO4/c1-6-17-29-21(2)24(32)16-18-30(29,35-19-10-13-22-11-8-7-9-12-22)26(31-3)20-23-14-15-25(33-4)28(34-5)27(23)29/h7-9,11-12,14-16,18,21,26,31H,6,10,13,17,19-20H2,1-5H3/t21-,26?,29-,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 isolated from rat brain membarane was determined using [3H]DAMGO as radioligand				J Med Chem 46: 4182-7 (2003) Article DOI: 10.1021/jm030878b BindingDB Entry DOI: 10.7270/Q22V2GVM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50133228 (4,13-dimethyl-17-(3-phenylpropoxy)-10-(2-propynylo...) Show SMILES CCC[C@]12c3c4O[C@@]1(C)C(=O)C=C[C@@]2(OCCCc1ccccc1)C(Cc3ccc4OCC#C)NC |c:12| Show InChI InChI=1S/C31H35NO4/c1-5-17-30-27-23-14-15-24(34-19-6-2)28(27)36-29(30,3)26(33)16-18-31(30,25(21-23)32-4)35-20-10-13-22-11-8-7-9-12-22/h2,7-9,11-12,14-16,18,25,32H,5,10,13,17,19-21H2,1,3-4H3/t25?,29-,30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 isolated from rat brain membarane was determined using [3H]DAMGO as radioligand				J Med Chem 46: 4182-7 (2003) Article DOI: 10.1021/jm030878b BindingDB Entry DOI: 10.7270/Q22V2GVM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50133223 (3,4-dimethoxy-14,17-dimethyl-10-(3-phenylpropoxy)-...) Show SMILES CCC[C@]12[C@H](C)C(=O)C=C[C@@]1(OCCCc1ccccc1)C(Cc1ccc(OC)c(OC)c21)NC |c:8| Show InChI InChI=1S/C30H39NO4/c1-6-17-29-21(2)24(32)16-18-30(29,35-19-10-13-22-11-8-7-9-12-22)26(31-3)20-23-14-15-25(33-4)28(34-5)27(23)29/h7-9,11-12,14-16,18,21,26,31H,6,10,13,17,19-20H2,1-5H3/t21-,26?,29-,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1 isolated from rat brain membarane was determined using [3H][Ile]-deltorphin as radioligand				J Med Chem 46: 4182-7 (2003) Article DOI: 10.1021/jm030878b BindingDB Entry DOI: 10.7270/Q22V2GVM
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50133223 (3,4-dimethoxy-14,17-dimethyl-10-(3-phenylpropoxy)-...) Show SMILES CCC[C@]12[C@H](C)C(=O)C=C[C@@]1(OCCCc1ccccc1)C(Cc1ccc(OC)c(OC)c21)NC |c:8| Show InChI InChI=1S/C30H39NO4/c1-6-17-29-21(2)24(32)16-18-30(29,35-19-10-13-22-11-8-7-9-12-22)26(31-3)20-23-14-15-25(33-4)28(34-5)27(23)29/h7-9,11-12,14-16,18,21,26,31H,6,10,13,17,19-20H2,1-5H3/t21-,26?,29-,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 isolated from rat brain membarane was determined using [3H]U-69593 as radioligand				J Med Chem 46: 4182-7 (2003) Article DOI: 10.1021/jm030878b BindingDB Entry DOI: 10.7270/Q22V2GVM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50133225 (10-methoxy-4,13-dimethyl-17-(3-phenylpropoxy)-12-o...) Show SMILES CCC[C@]12c3c4O[C@@]1(C)C(=O)C=C[C@@]2(OCCCc1ccccc1)C(Cc3ccc4OC)NC |c:12| Show InChI InChI=1S/C29H35NO4/c1-5-16-28-25-21-13-14-22(32-4)26(25)34-27(28,2)24(31)15-17-29(28,23(19-21)30-3)33-18-9-12-20-10-7-6-8-11-20/h6-8,10-11,13-15,17,23,30H,5,9,12,16,18-19H2,1-4H3/t23?,27-,28-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1 isolated from rat brain membarane was determined using [3H][Ile]-deltorphin as radioligand				J Med Chem 46: 4182-7 (2003) Article DOI: 10.1021/jm030878b BindingDB Entry DOI: 10.7270/Q22V2GVM
					More data for this Ligand-Target Pair
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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	6.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 isolated from rat brain membarane was determined using [3H]DAMGO as radioligand				J Med Chem 46: 4182-7 (2003) Article DOI: 10.1021/jm030878b BindingDB Entry DOI: 10.7270/Q22V2GVM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50133228 (4,13-dimethyl-17-(3-phenylpropoxy)-10-(2-propynylo...) Show SMILES CCC[C@]12c3c4O[C@@]1(C)C(=O)C=C[C@@]2(OCCCc1ccccc1)C(Cc3ccc4OCC#C)NC |c:12| Show InChI InChI=1S/C31H35NO4/c1-5-17-30-27-23-14-15-24(34-19-6-2)28(27)36-29(30,3)26(33)16-18-31(30,25(21-23)32-4)35-20-10-13-22-11-8-7-9-12-22/h2,7-9,11-12,14-16,18,25,32H,5,10,13,17,19-21H2,1,3-4H3/t25?,29-,30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1 isolated from rat brain membarane was determined using [3H][Ile]-deltorphin as radioligand				J Med Chem 46: 4182-7 (2003) Article DOI: 10.1021/jm030878b BindingDB Entry DOI: 10.7270/Q22V2GVM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50133227 (10,17-dimethoxy-4,13-dimethyl-12-oxa-4-azapentacyc...) Show SMILES CCC[C@]12c3c4O[C@@]1(C)C(=O)CC[C@@]2(OC)C(Cc3ccc4OC)NC Show InChI InChI=1S/C21H29NO4/c1-6-10-20-17-13-7-8-14(24-4)18(17)26-19(20,2)16(23)9-11-21(20,25-5)15(12-13)22-3/h7-8,15,22H,6,9-12H2,1-5H3/t15?,19-,20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1 isolated from rat brain membarane was determined using [3H][Ile]-deltorphin as radioligand				J Med Chem 46: 4182-7 (2003) Article DOI: 10.1021/jm030878b BindingDB Entry DOI: 10.7270/Q22V2GVM
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50133228 (4,13-dimethyl-17-(3-phenylpropoxy)-10-(2-propynylo...) Show SMILES CCC[C@]12c3c4O[C@@]1(C)C(=O)C=C[C@@]2(OCCCc1ccccc1)C(Cc3ccc4OCC#C)NC |c:12| Show InChI InChI=1S/C31H35NO4/c1-5-17-30-27-23-14-15-24(34-19-6-2)28(27)36-29(30,3)26(33)16-18-31(30,25(21-23)32-4)35-20-10-13-22-11-8-7-9-12-22/h2,7-9,11-12,14-16,18,25,32H,5,10,13,17,19-21H2,1,3-4H3/t25?,29-,30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 isolated from rat brain membarane was determined using [3H]U-69593 as radioligand				J Med Chem 46: 4182-7 (2003) Article DOI: 10.1021/jm030878b BindingDB Entry DOI: 10.7270/Q22V2GVM
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50133225 (10-methoxy-4,13-dimethyl-17-(3-phenylpropoxy)-12-o...) Show SMILES CCC[C@]12c3c4O[C@@]1(C)C(=O)C=C[C@@]2(OCCCc1ccccc1)C(Cc3ccc4OC)NC |c:12| Show InChI InChI=1S/C29H35NO4/c1-5-16-28-25-21-13-14-22(32-4)26(25)34-27(28,2)24(31)15-17-29(28,23(19-21)30-3)33-18-9-12-20-10-7-6-8-11-20/h6-8,10-11,13-15,17,23,30H,5,9,12,16,18-19H2,1-4H3/t23?,27-,28-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 isolated from rat brain membarane was determined using [3H]U-69593 as radioligand				J Med Chem 46: 4182-7 (2003) Article DOI: 10.1021/jm030878b BindingDB Entry DOI: 10.7270/Q22V2GVM
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50133227 (10,17-dimethoxy-4,13-dimethyl-12-oxa-4-azapentacyc...) Show SMILES CCC[C@]12c3c4O[C@@]1(C)C(=O)CC[C@@]2(OC)C(Cc3ccc4OC)NC Show InChI InChI=1S/C21H29NO4/c1-6-10-20-17-13-7-8-14(24-4)18(17)26-19(20,2)16(23)9-11-21(20,25-5)15(12-13)22-3/h7-8,15,22H,6,9-12H2,1-5H3/t15?,19-,20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 isolated from rat brain membarane was determined using [3H]U-69593 as radioligand				J Med Chem 46: 4182-7 (2003) Article DOI: 10.1021/jm030878b BindingDB Entry DOI: 10.7270/Q22V2GVM
					More data for this Ligand-Target Pair
Kappa-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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 isolated from rat brain membarane was determined using [3H]U-69593 as radioligand				J Med Chem 46: 4182-7 (2003) Article DOI: 10.1021/jm030878b BindingDB Entry DOI: 10.7270/Q22V2GVM
					More data for this Ligand-Target Pair
Delta-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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	217	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1 isolated from rat brain membarane was determined using [3H][Ile]-deltorphin as radioligand				J Med Chem 46: 4182-7 (2003) Article DOI: 10.1021/jm030878b BindingDB Entry DOI: 10.7270/Q22V2GVM
					More data for this Ligand-Target Pair