Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50036148   

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
Mu-type opioid receptor (GUINEA PIG)	BDBM50044865 (17-(Cyclopropylmethyl)-6,7-didehydro-3,14-dihydrox...) Show SMILES Cn1c2C[C@H]3CCNC[C@@H]3Cc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |THB:23:35:14:30.28.29,19:18:14:30.28.29| Show InChI InChI=1S/C30H37N3O3/c1-32-22-11-17-6-8-31-14-19(17)10-20(22)21-13-30(35)24-12-18-4-5-23(34)27-25(18)29(30,28(36-27)26(21)32)7-9-33(24)15-16-2-3-16/h4-5,16-17,19,24,28,31,34-35H,2-3,6-15H2,1H3/t17-,19+,24?,28+,29+,30-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory activity against mu-opioid receptor in guinea pig ileum longitudinal muscle using morphine				J Med Chem 36: 2412-5 (1993) BindingDB Entry DOI: 10.7270/Q2MP53WW
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50044865 (17-(Cyclopropylmethyl)-6,7-didehydro-3,14-dihydrox...) Show SMILES Cn1c2C[C@H]3CCNC[C@@H]3Cc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |THB:23:35:14:30.28.29,19:18:14:30.28.29| Show InChI InChI=1S/C30H37N3O3/c1-32-22-11-17-6-8-31-14-19(17)10-20(22)21-13-30(35)24-12-18-4-5-23(34)27-25(18)29(30,28(36-27)26(21)32)7-9-33(24)15-16-2-3-16/h4-5,16-17,19,24,28,31,34-35H,2-3,6-15H2,1H3/t17-,19+,24?,28+,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory activity against delta-opioid receptor in mouse vas deferens preparation using DADLE				J Med Chem 36: 2412-5 (1993) BindingDB Entry DOI: 10.7270/Q2MP53WW
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50044863 (17-(Cyclopropylmethyl)-6,7-didehydro-3,14-dihydrox...) Show SMILES Cn1c2C[C@H]3CCN(C[C@@H]3Cc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56)C(=O)OCc1ccccc1 |THB:19:18:14:30.28.29,23:35:14:30.28.29| Show InChI InChI=1S/C38H43N3O5/c1-39-29-16-24-11-13-41(36(43)45-21-23-5-3-2-4-6-23)20-26(24)15-27(29)28-18-38(44)31-17-25-9-10-30(42)34-32(25)37(38,35(46-34)33(28)39)12-14-40(31)19-22-7-8-22/h2-6,9-10,22,24,26,31,35,42,44H,7-8,11-21H2,1H3/t24-,26+,31?,35+,37+,38-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory activity against kappa-opioid receptor in guinea pig ileum longitudinal muscle using ethylketazocine				J Med Chem 36: 2412-5 (1993) BindingDB Entry DOI: 10.7270/Q2MP53WW
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50044863 (17-(Cyclopropylmethyl)-6,7-didehydro-3,14-dihydrox...) Show SMILES Cn1c2C[C@H]3CCN(C[C@@H]3Cc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56)C(=O)OCc1ccccc1 |THB:19:18:14:30.28.29,23:35:14:30.28.29| Show InChI InChI=1S/C38H43N3O5/c1-39-29-16-24-11-13-41(36(43)45-21-23-5-3-2-4-6-23)20-26(24)15-27(29)28-18-38(44)31-17-25-9-10-30(42)34-32(25)37(38,35(46-34)33(28)39)12-14-40(31)19-22-7-8-22/h2-6,9-10,22,24,26,31,35,42,44H,7-8,11-21H2,1H3/t24-,26+,31?,35+,37+,38-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory activity against mu-opioid receptor in guinea pig ileum longitudinal muscle using morphine				J Med Chem 36: 2412-5 (1993) BindingDB Entry DOI: 10.7270/Q2MP53WW
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM82551 (C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r| Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory activity against mu-opioid receptor in guinea pig ileum longitudinal muscle using morphine				J Med Chem 36: 2412-5 (1993) BindingDB Entry DOI: 10.7270/Q2MP53WW
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50044863 (17-(Cyclopropylmethyl)-6,7-didehydro-3,14-dihydrox...) Show SMILES Cn1c2C[C@H]3CCN(C[C@@H]3Cc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56)C(=O)OCc1ccccc1 |THB:19:18:14:30.28.29,23:35:14:30.28.29| Show InChI InChI=1S/C38H43N3O5/c1-39-29-16-24-11-13-41(36(43)45-21-23-5-3-2-4-6-23)20-26(24)15-27(29)28-18-38(44)31-17-25-9-10-30(42)34-32(25)37(38,35(46-34)33(28)39)12-14-40(31)19-22-7-8-22/h2-6,9-10,22,24,26,31,35,42,44H,7-8,11-21H2,1H3/t24-,26+,31?,35+,37+,38-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory activity against delta-opioid receptor in mouse vas deferens preparation using DADLE				J Med Chem 36: 2412-5 (1993) BindingDB Entry DOI: 10.7270/Q2MP53WW
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM82551 (C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r| Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory activity against delta-opioid receptor in mouse vas deferens preparation using DADLE				J Med Chem 36: 2412-5 (1993) BindingDB Entry DOI: 10.7270/Q2MP53WW
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50044865 (17-(Cyclopropylmethyl)-6,7-didehydro-3,14-dihydrox...) Show SMILES Cn1c2C[C@H]3CCNC[C@@H]3Cc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |THB:23:35:14:30.28.29,19:18:14:30.28.29| Show InChI InChI=1S/C30H37N3O3/c1-32-22-11-17-6-8-31-14-19(17)10-20(22)21-13-30(35)24-12-18-4-5-23(34)27-25(18)29(30,28(36-27)26(21)32)7-9-33(24)15-16-2-3-16/h4-5,16-17,19,24,28,31,34-35H,2-3,6-15H2,1H3/t17-,19+,24?,28+,29+,30-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory activity against kappa-opioid receptor in guinea pig ileum longitudinal muscle using ethylketazocine				J Med Chem 36: 2412-5 (1993) BindingDB Entry DOI: 10.7270/Q2MP53WW
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM82551 (C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r| Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory activity against kappa-opioid receptor in guinea pig ileum longitudinal muscle using ethylketazocine				J Med Chem 36: 2412-5 (1993) BindingDB Entry DOI: 10.7270/Q2MP53WW
					More data for this Ligand-Target Pair