Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50035876   

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 opioid receptor (Homo sapiens (Human))	BDBM50013625 (22-cyclopropylmethyl-11-methyl-(1S,2S,13R)-14-oxa-...) Show SMILES Cn1c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc2c2ccccc12)ccc4O |TLB:28:7:18:10.16.15,5:6:18:10.16.15| Show InChI InChI=1S/C27H28N2O3/c1-28-19-5-3-2-4-17(19)18-13-27(31)21-12-16-8-9-20(30)24-22(16)26(27,25(32-24)23(18)28)10-11-29(21)14-15-6-7-15/h2-5,8-9,15,21,25,30-31H,6-7,10-14H2,1H3/t21?,25-,26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity was measured by the displacement of [3H]- DADLE in guinea pig brain membrane of Opioid receptor delta 1				J Med Chem 33: 1714-20 (1990) BindingDB Entry DOI: 10.7270/Q27P9003
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50013619 (9-fluoro-22-cyclopropylmethyl-(2S,13R)-14-oxa-11,2...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2c(F)cccc2c1C[C@@]35O |TLB:17:18:30:7.13.12,3:4:30:7.13.12| Show InChI InChI=1S/C26H25FN2O3/c27-17-3-1-2-15-16-11-26(31)19-10-14-6-7-18(30)23-20(14)25(26,8-9-29(19)12-13-4-5-13)24(32-23)22(16)28-21(15)17/h1-3,6-7,13,19,24,28,30-31H,4-5,8-12H2/t19?,24-,25-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity was measured by the displacement of [3H]- DADLE in guinea pig brain membrane of Opioid receptor delta 1				J Med Chem 33: 1714-20 (1990) BindingDB Entry DOI: 10.7270/Q27P9003
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21864 ((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3| 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?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity was measured by the displacement of [3H]- DADLE in guinea pig brain membrane of Opioid receptor delta 1				J Med Chem 33: 1714-20 (1990) BindingDB Entry DOI: 10.7270/Q27P9003
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50013623 (9-bromo-22-cyclopropylmethyl-(2S,13R)-14-oxa-11,22...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2c(Br)cccc2c1C[C@@]35O |TLB:17:18:30:7.13.12,3:4:30:7.13.12| Show InChI InChI=1S/C26H25BrN2O3/c27-17-3-1-2-15-16-11-26(31)19-10-14-6-7-18(30)23-20(14)25(26,8-9-29(19)12-13-4-5-13)24(32-23)22(16)28-21(15)17/h1-3,6-7,13,19,24,28,30-31H,4-5,8-12H2/t19?,24-,25-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity was measured by the displacement of [3H]- DADLE in guinea pig brain membrane of Opioid receptor delta 1				J Med Chem 33: 1714-20 (1990) BindingDB Entry DOI: 10.7270/Q27P9003
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50013627 (22-cyclopropylmethyl-11-phenyl-(2S,13R)-14-oxa-11,...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1-c1ccccc1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12| Show InChI InChI=1S/C32H30N2O3/c35-25-13-12-20-16-26-32(36)17-23-22-8-4-5-9-24(22)34(21-6-2-1-3-7-21)28(23)30-31(32,27(20)29(25)37-30)14-15-33(26)18-19-10-11-19/h1-9,12-13,19,26,30,35-36H,10-11,14-18H2/t26?,30-,31-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity was measured by the displacement of [3H]- DADLE in guinea pig brain membrane of Opioid receptor delta 1				J Med Chem 33: 1714-20 (1990) BindingDB Entry DOI: 10.7270/Q27P9003
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50221416 (22-methyl-(2S,13R)-14-oxa-11,22-diazaheptacyclo[13...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |r| Show InChI InChI=1S/C23H22N2O3/c1-25-9-8-22-18-12-6-7-16(26)20(18)28-21(22)19-14(11-23(22,27)17(25)10-12)13-4-2-3-5-15(13)24-19/h2-7,17,21,24,26-27H,8-11H2,1H3/t17-,21+,22+,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity was measured by the displacement of [3H]- DADLE in guinea pig brain membrane of Opioid receptor delta 1				J Med Chem 33: 1714-20 (1990) BindingDB Entry DOI: 10.7270/Q27P9003
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50013622 (9-methyloxy-22-cyclopropylmethyl-(2S,13R)-14-oxa-1...) Show SMILES COc1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)[C@]4(CCN5CC1CC1)c67 |THB:18:32:9:27.25.26,14:13:9:27.25.26| Show InChI InChI=1S/C27H28N2O4/c1-32-19-4-2-3-16-17-12-27(31)20-11-15-7-8-18(30)24-21(15)26(27,9-10-29(20)13-14-5-6-14)25(33-24)23(17)28-22(16)19/h2-4,7-8,14,20,25,28,30-31H,5-6,9-13H2,1H3/t20?,25-,26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity was measured by the displacement of [3H]- DADLE in guinea pig brain membrane of Opioid receptor delta 1				J Med Chem 33: 1714-20 (1990) BindingDB Entry DOI: 10.7270/Q27P9003
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50013620 (2-[2-{2-[2-(2-Amino-3-phenyl-propionylamino)-3-mer...) Show SMILES CC(C)(S)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)(C)S)C(O)=O Show InChI InChI=1S/C30H41N5O7S2/c1-29(2,43)23(34-25(38)20(31)14-17-8-6-5-7-9-17)27(40)32-16-22(37)33-21(15-18-10-12-19(36)13-11-18)26(39)35-24(28(41)42)30(3,4)44/h5-13,20-21,23-24,36,43-44H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity was measured by the displacement of [3H]- DADLE in guinea pig brain membrane of Opioid receptor delta 1				J Med Chem 33: 1714-20 (1990) BindingDB Entry DOI: 10.7270/Q27P9003
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity was measured by the displacement of [3H]- DADLE in guinea pig brain membrane of Opioid receptor delta 1				J Med Chem 33: 1714-20 (1990) BindingDB Entry DOI: 10.7270/Q27P9003
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50262499 ((5R,9R,13S,14S)-17-Cyclopropylmethyl-6,7-didehydro...) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r| Show InChI InChI=1S/C27H28N2O3/c1-31-20-9-8-16-12-21-27(30)13-18-17-4-2-3-5-19(17)28-23(18)25-26(27,22(16)24(20)32-25)10-11-29(21)14-15-6-7-15/h2-5,8-9,15,21,25,28,30H,6-7,10-14H2,1H3/t21-,25+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity was measured by the displacement of [3H]- DADLE in guinea pig brain membrane of Opioid receptor delta 1				J Med Chem 33: 1714-20 (1990) BindingDB Entry DOI: 10.7270/Q27P9003
					More data for this Ligand-Target Pair