Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50061061'   

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 (MOUSE)	BDBM50061061 ((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...) Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(CC)C[C@@H]3Cc2c1C)c1cccc(O)c1 Show InChI InChI=1S/C25H35N3O2/c1-5-27-12-11-25(18-9-8-10-20(29)13-18)15-22-21(14-19(25)16-27)17(4)23(26-22)24(30)28(6-2)7-3/h8-10,13,19,26,29H,5-7,11-12,14-16H2,1-4H3/t19-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description inhibition of [3H]DADLE binding to delta-opioid receptor of mouse brain homogenates				Bioorg Med Chem Lett 7: 2967-2972 (1997) Article DOI: 10.1016/S0960-894X(97)10119-6 BindingDB Entry DOI: 10.7270/Q26110VD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50061061 ((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...) Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(CC)C[C@@H]3Cc2c1C)c1cccc(O)c1 Show InChI InChI=1S/C25H35N3O2/c1-5-27-12-11-25(18-9-8-10-20(29)13-18)15-22-21(14-19(25)16-27)17(4)23(26-22)24(30)28(6-2)7-3/h8-10,13,19,26,29H,5-7,11-12,14-16H2,1-4H3/t19-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description inhibition of [3H]DADLE binding to delta-opioid receptor of mouse brain homogenates				Bioorg Med Chem Lett 7: 2967-2972 (1997) Article DOI: 10.1016/S0960-894X(97)10119-6 BindingDB Entry DOI: 10.7270/Q26110VD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50061061 ((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...) Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(CC)C[C@@H]3Cc2c1C)c1cccc(O)c1 Show InChI InChI=1S/C25H35N3O2/c1-5-27-12-11-25(18-9-8-10-20(29)13-18)15-22-21(14-19(25)16-27)17(4)23(26-22)24(30)28(6-2)7-3/h8-10,13,19,26,29H,5-7,11-12,14-16H2,1-4H3/t19-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description inhibition of [3H]DADLE binding to delta-opioid receptor of mouse brain homogenates				Bioorg Med Chem Lett 7: 2967-2972 (1997) Article DOI: 10.1016/S0960-894X(97)10119-6 BindingDB Entry DOI: 10.7270/Q26110VD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50061061 ((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...) Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(CC)C[C@@H]3Cc2c1C)c1cccc(O)c1 Show InChI InChI=1S/C25H35N3O2/c1-5-27-12-11-25(18-9-8-10-20(29)13-18)15-22-21(14-19(25)16-27)17(4)23(26-22)24(30)28(6-2)7-3/h8-10,13,19,26,29H,5-7,11-12,14-16H2,1-4H3/t19-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham S.p.A. Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1 using [3H][D-Ala2, D-Leu5]-enkephalin as radioligand				J Med Chem 40: 3192-8 (1997) Article DOI: 10.1021/jm9608218 BindingDB Entry DOI: 10.7270/Q29C6Z3D
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50061061 ((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...) Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(CC)C[C@@H]3Cc2c1C)c1cccc(O)c1 Show InChI InChI=1S/C25H35N3O2/c1-5-27-12-11-25(18-9-8-10-20(29)13-18)15-22-21(14-19(25)16-27)17(4)23(26-22)24(30)28(6-2)7-3/h8-10,13,19,26,29H,5-7,11-12,14-16H2,1-4H3/t19-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham S.p.A. Curated by ChEMBL					Assay Description In vitro agonist activity for Opioid receptor delta 1 was determined in a mouse vas deferens assay				J Med Chem 40: 3192-8 (1997) Article DOI: 10.1021/jm9608218 BindingDB Entry DOI: 10.7270/Q29C6Z3D
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50061061 ((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...) Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(CC)C[C@@H]3Cc2c1C)c1cccc(O)c1 Show InChI InChI=1S/C25H35N3O2/c1-5-27-12-11-25(18-9-8-10-20(29)13-18)15-22-21(14-19(25)16-27)17(4)23(26-22)24(30)28(6-2)7-3/h8-10,13,19,26,29H,5-7,11-12,14-16H2,1-4H3/t19-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham S.p.A. Curated by ChEMBL					Assay Description In vitro antagonist activity against Opioid receptor delta 1 in the presence of 30 nM naltrindole, in a mouse vas deferens assay				J Med Chem 40: 3192-8 (1997) Article DOI: 10.1021/jm9608218 BindingDB Entry DOI: 10.7270/Q29C6Z3D
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50061061 ((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...) Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(CC)C[C@@H]3Cc2c1C)c1cccc(O)c1 Show InChI InChI=1S/C25H35N3O2/c1-5-27-12-11-25(18-9-8-10-20(29)13-18)15-22-21(14-19(25)16-27)17(4)23(26-22)24(30)28(6-2)7-3/h8-10,13,19,26,29H,5-7,11-12,14-16H2,1-4H3/t19-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	462	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham S.p.A. Curated by ChEMBL					Assay Description Inv itro antagonist activity against Opioid receptor delta 1 in the presence of 30 nM naltrindole, in a mouse vas deferens assay				J Med Chem 40: 3192-8 (1997) Article DOI: 10.1021/jm9608218 BindingDB Entry DOI: 10.7270/Q29C6Z3D
					More data for this Ligand-Target Pair