Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50000709   

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))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zambeletti Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against opioid receptor delta subtype in guinea pig brain (minus cerebellum)using [3H]-DADLE as radio...				J Med Chem 34: 397-403 (1991) BindingDB Entry DOI: 10.7270/Q23777N1
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50008890 (2-(4-Hydroxy-phenyl)-1-(2-pyrrolidin-1-ylmethyl-pi...) Show SMILES Oc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1 Show InChI InChI=1S/C18H26N2O2/c21-17-8-6-15(7-9-17)13-18(22)20-12-2-1-5-16(20)14-19-10-3-4-11-19/h6-9,16,21H,1-5,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zambeletti Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against opioid receptor delta subtype in guinea pig brain (minus cerebellum)using [3H]-DADLE as radio...				J Med Chem 34: 397-403 (1991) BindingDB Entry DOI: 10.7270/Q23777N1
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50008889 ((threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-dimethylami...) Show SMILES CC(C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1)N(C)C Show InChI InChI=1S/C17H24Cl2N2O/c1-12(20(2)3)16-6-4-5-9-21(16)17(22)11-13-7-8-14(18)15(19)10-13/h7-8,10,12,16H,4-6,9,11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zambeletti Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against opioid receptor delta subtype in guinea pig brain (minus cerebellum)using [3H]-DADLE as radio...				J Med Chem 34: 397-403 (1991) BindingDB Entry DOI: 10.7270/Q23777N1
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zambeletti Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against opioid receptor delta subtype in guinea pig brain (minus cerebellum)using [3H]-DADLE as radio...				J Med Chem 34: 397-403 (1991) BindingDB Entry DOI: 10.7270/Q23777N1
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50008888 ((threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-methyl-pyrr...) Show SMILES CN1CCCC1C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C18H24Cl2N2O/c1-21-9-4-6-16(21)17-5-2-3-10-22(17)18(23)12-13-7-8-14(19)15(20)11-13/h7-8,11,16-17H,2-6,9-10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zambeletti Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against opioid receptor delta subtype in guinea pig brain (minus cerebellum)using [3H]-DADLE as radio...				J Med Chem 34: 397-403 (1991) BindingDB Entry DOI: 10.7270/Q23777N1
					More data for this Ligand-Target Pair