Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50036386   

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))	BDBM50036134 (32+/-82-[22-cyclopropylmethyl-2,16-dihydroxy-(2S,1...) Show SMILES OC(=O)CNC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67 |TLB:33:32:14:37.18.17,23:37:14:32.30.31,15:14:37.18.17:32.30.31,THB:13:14:37.18.17:32.30.31| Show InChI InChI=1S/C29H29N3O6/c33-19-7-6-15-10-20-29(37)11-18-16-2-1-3-17(27(36)30-12-21(34)35)23(16)31-24(18)26-28(29,22(15)25(19)38-26)8-9-32(20)13-14-4-5-14/h1-3,6-7,14,20,26,31,33,37H,4-5,8-13H2,(H,30,36)(H,34,35)/t20?,26-,28?,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description The opioid receptor affinity(Ki) was evaluated by competition with [3H]-DPDPE (delta 1) on guinea pig brain membranes				J Med Chem 38: 402-7 (1995) BindingDB Entry DOI: 10.7270/Q22N52W5
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50036140 (22-cyclopropylmethyl-2,16-dihydroxy-(2S,13R)-14-ox...) Show SMILES OC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67 |TLB:29:28:10:33.14.13,19:33:10:28.26.27,11:10:33.14.13:28.26.27,THB:9:10:33.14.13:28.26.27| Show InChI InChI=1S/C27H26N2O5/c30-18-7-6-14-10-19-27(33)11-17-15-2-1-3-16(25(31)32)21(15)28-22(17)24-26(27,20(14)23(18)34-24)8-9-29(19)12-13-4-5-13/h1-3,6-7,13,19,24,28,30,33H,4-5,8-12H2,(H,31,32)/t19?,24-,26?,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description The opioid receptor affinity(Ki) was evaluated by competition with [3H]-DPDPE (delta 1) on guinea pig brain membranes				J Med Chem 38: 402-7 (1995) BindingDB Entry DOI: 10.7270/Q22N52W5
					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 The opioid receptor affinity(Ki) was evaluated by competition with [3H]-DPDPE (delta 1) on guinea pig brain membranes				J Med Chem 38: 402-7 (1995) BindingDB Entry DOI: 10.7270/Q22N52W5
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50036137 (2-[22-cyclopropylmethyl-2,16-dihydroxy-(2S,13R)-14...) Show SMILES OC(=O)C[C@@H](NC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67)C(O)=O |TLB:16:15:38.19.18:33.31.32,24:38:15:33.31.32,34:33:15:38.19.18,THB:14:15:38.19.18:33.31.32| Show InChI InChI=1S/C31H31N3O8/c35-20-7-6-15-10-21-31(41)12-18-16-2-1-3-17(28(38)32-19(29(39)40)11-22(36)37)24(16)33-25(18)27-30(31,23(15)26(20)42-27)8-9-34(21)13-14-4-5-14/h1-3,6-7,14,19,21,27,33,35,41H,4-5,8-13H2,(H,32,38)(H,36,37)(H,39,40)/t19-,21?,27+,30?,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG 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 The opioid receptor affinity(Ki) was evaluated by competition with [3H]-DPDPE (delta 1) on guinea pig brain membranes				J Med Chem 38: 402-7 (1995) BindingDB Entry DOI: 10.7270/Q22N52W5
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50036135 (5-amino(imino)methylamino-2-[22-cyclopropylmethyl-...) Show SMILES NC(=N)NCCC[C@@H](NC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67)C(O)=O |TLB:19:18:41.22.21:36.34.35,37:36:18:41.22.21,27:41:18:36.34.35,THB:17:18:41.22.21:36.34.35| Show InChI InChI=1S/C33H38N6O6/c34-31(35)36-11-2-5-21(30(42)43)37-29(41)19-4-1-3-18-20-14-33(44)23-13-17-8-9-22(40)27-24(17)32(33,10-12-39(23)15-16-6-7-16)28(45-27)26(20)38-25(18)19/h1,3-4,8-9,16,21,23,28,38,40,44H,2,5-7,10-15H2,(H,37,41)(H,42,43)(H4,34,35,36)/t21-,23?,28+,32?,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description The opioid receptor affinity(Ki) was evaluated by competition with [3H]-DPDPE (delta 1) on guinea pig brain membranes				J Med Chem 38: 402-7 (1995) BindingDB Entry DOI: 10.7270/Q22N52W5
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50036138 (5-amino-2-[22-cyclopropylmethyl-2,16-dihydroxy-(2S...) Show SMILES NCCC[C@@H](NC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67)C(O)=O |TLB:34:33:15:38.19.18,24:38:15:33.31.32,16:15:38.19.18:33.31.32,THB:14:15:38.19.18:33.31.32| Show InChI InChI=1S/C32H36N4O6/c33-11-2-5-21(30(39)40)34-29(38)19-4-1-3-18-20-14-32(41)23-13-17-8-9-22(37)27-24(17)31(32,10-12-36(23)15-16-6-7-16)28(42-27)26(20)35-25(18)19/h1,3-4,8-9,16,21,23,28,35,37,41H,2,5-7,10-15,33H2,(H,34,38)(H,39,40)/t21-,23?,28+,31?,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description The opioid receptor affinity(Ki) was evaluated by competition with [3H]-DPDPE (delta 1) on guinea pig brain membranes				J Med Chem 38: 402-7 (1995) BindingDB Entry DOI: 10.7270/Q22N52W5
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50036136 (6-amino-2-[22-cyclopropylmethyl-2,16-dihydroxy-(2S...) Show SMILES NCCCC[C@@H](NC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67)C(O)=O |TLB:35:34:16:39.20.19,25:39:16:34.32.33,17:16:39.20.19:34.32.33,THB:15:16:39.20.19:34.32.33| Show InChI InChI=1S/C33H38N4O6/c34-12-2-1-6-22(31(40)41)35-30(39)20-5-3-4-19-21-15-33(42)24-14-18-9-10-23(38)28-25(18)32(33,11-13-37(24)16-17-7-8-17)29(43-28)27(21)36-26(19)20/h3-5,9-10,17,22,24,29,36,38,42H,1-2,6-8,11-16,34H2,(H,35,39)(H,40,41)/t22-,24?,29+,32?,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description The opioid receptor affinity(Ki) was evaluated by competition with [3H]-DPDPE (delta 1) on guinea pig brain membranes				J Med Chem 38: 402-7 (1995) BindingDB Entry DOI: 10.7270/Q22N52W5
					More data for this Ligand-Target Pair