Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50030073   

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)	BDBM50060080 (2-({2-[(R)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r| Show InChI InChI=1S/C19H20N2O4/c20-16(9-12-5-7-15(22)8-6-12)18(23)21-11-14-4-2-1-3-13(14)10-17(21)19(24)25/h1-8,16-17,22H,9-11,20H2,(H,24,25)/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	191	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards delta-opioid receptor by displacement of [3H]p-CI-DPDPE radioligand from mouse vas defere...				Bioorg Med Chem Lett 7: 3049-3052 (1997) Article DOI: 10.1016/S0960-894X(97)10145-7 BindingDB Entry DOI: 10.7270/Q2H13211
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50060080 (2-({2-[(R)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r| Show InChI InChI=1S/C19H20N2O4/c20-16(9-12-5-7-15(22)8-6-12)18(23)21-11-14-4-2-1-3-13(14)10-17(21)19(24)25/h1-8,16-17,22H,9-11,20H2,(H,24,25)/t16-,17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.84E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards mu-opioid receptor by displacement of [3H]DAMGO radioligand from guinea pig ileum				Bioorg Med Chem Lett 7: 3049-3052 (1997) Article DOI: 10.1016/S0960-894X(97)10145-7 BindingDB Entry DOI: 10.7270/Q2H13211
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50290894 ((S)-2-[(2S,3R)-2-Amino-3-(4-hydroxy-2,6-dimethyl-p...) Show SMILES C[C@@H]([C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O)c1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C22H26N2O4/c1-12-8-17(25)9-13(2)19(12)14(3)20(23)21(26)24-11-16-7-5-4-6-15(16)10-18(24)22(27)28/h4-9,14,18,20,25H,10-11,23H2,1-3H3,(H,27,28)/t14-,18+,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards delta-opioid receptor by displacement of [3H]-p-CI-DPDPE radioligand from mouse vas defer...				Bioorg Med Chem Lett 7: 3049-3052 (1997) Article DOI: 10.1016/S0960-894X(97)10145-7 BindingDB Entry DOI: 10.7270/Q2H13211
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50290890 ((S)-2-[2-tert-Butoxycarbonylamino-3-(4-hydroxy-2,6...) Show SMILES CC(C(NC(=O)OC(C)(C)C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1ccccc1)c1c(C)cc(O)cc1C Show InChI InChI=1S/C34H40N2O6/c1-21-16-27(37)17-22(2)29(21)23(3)30(35-33(40)42-34(4,5)6)31(38)36-19-26-15-11-10-14-25(26)18-28(36)32(39)41-20-24-12-8-7-9-13-24/h7-17,23,28,30,37H,18-20H2,1-6H3,(H,35,40)/t23?,28-,30?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards delta-opioid receptor by displacement of [3H]-p-CI-DPDPE radioligand from mouse vas defer...				Bioorg Med Chem Lett 7: 3049-3052 (1997) Article DOI: 10.1016/S0960-894X(97)10145-7 BindingDB Entry DOI: 10.7270/Q2H13211
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50290892 ((S)-2-[(2S,3S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-p...) Show SMILES C[C@H]([C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O)c1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C22H26N2O4/c1-12-8-17(25)9-13(2)19(12)14(3)20(23)21(26)24-11-16-7-5-4-6-15(16)10-18(24)22(27)28/h4-9,14,18,20,25H,10-11,23H2,1-3H3,(H,27,28)/t14-,18-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	124	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards delta-opioid receptor by displacement of [3H]-p-CI-DPDPE radioligand from mouse vas defer...				Bioorg Med Chem Lett 7: 3049-3052 (1997) Article DOI: 10.1016/S0960-894X(97)10145-7 BindingDB Entry DOI: 10.7270/Q2H13211
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50290890 ((S)-2-[2-tert-Butoxycarbonylamino-3-(4-hydroxy-2,6...) Show SMILES CC(C(NC(=O)OC(C)(C)C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1ccccc1)c1c(C)cc(O)cc1C Show InChI InChI=1S/C34H40N2O6/c1-21-16-27(37)17-22(2)29(21)23(3)30(35-33(40)42-34(4,5)6)31(38)36-19-26-15-11-10-14-25(26)18-28(36)32(39)41-20-24-12-8-7-9-13-24/h7-17,23,28,30,37H,18-20H2,1-6H3,(H,35,40)/t23?,28-,30?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards mu-opioid receptor by displacement of [3H]-DAMGO radioligand from guinea pig ileum				Bioorg Med Chem Lett 7: 3049-3052 (1997) Article DOI: 10.1016/S0960-894X(97)10145-7 BindingDB Entry DOI: 10.7270/Q2H13211
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50290891 ((S)-2-[(2R,3R)-2-Amino-3-(4-hydroxy-2,6-dimethyl-p...) Show SMILES C[C@@H]([C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O)c1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C22H26N2O4/c1-12-8-17(25)9-13(2)19(12)14(3)20(23)21(26)24-11-16-7-5-4-6-15(16)10-18(24)22(27)28/h4-9,14,18,20,25H,10-11,23H2,1-3H3,(H,27,28)/t14-,18+,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards delta-opioid receptor by displacement of [3H]-p-CI-DPDPE radioligand from mouse vas defer...				Bioorg Med Chem Lett 7: 3049-3052 (1997) Article DOI: 10.1016/S0960-894X(97)10145-7 BindingDB Entry DOI: 10.7270/Q2H13211
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50290889 ((S)-2-[(2R,3S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-p...) Show SMILES C[C@H]([C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O)c1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C22H26N2O4/c1-12-8-17(25)9-13(2)19(12)14(3)20(23)21(26)24-11-16-7-5-4-6-15(16)10-18(24)22(27)28/h4-9,14,18,20,25H,10-11,23H2,1-3H3,(H,27,28)/t14-,18-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards delta-opioid receptor by displacement of [3H]-p-CI-DPDPE radioligand from mouse vas defer...				Bioorg Med Chem Lett 7: 3049-3052 (1997) Article DOI: 10.1016/S0960-894X(97)10145-7 BindingDB Entry DOI: 10.7270/Q2H13211
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50290894 ((S)-2-[(2S,3R)-2-Amino-3-(4-hydroxy-2,6-dimethyl-p...) Show SMILES C[C@@H]([C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O)c1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C22H26N2O4/c1-12-8-17(25)9-13(2)19(12)14(3)20(23)21(26)24-11-16-7-5-4-6-15(16)10-18(24)22(27)28/h4-9,14,18,20,25H,10-11,23H2,1-3H3,(H,27,28)/t14-,18+,20+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards mu-opioid receptor by displacement of [3H]-DAMGO radioligand from guinea pig ileum				Bioorg Med Chem Lett 7: 3049-3052 (1997) Article DOI: 10.1016/S0960-894X(97)10145-7 BindingDB Entry DOI: 10.7270/Q2H13211
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50290892 ((S)-2-[(2S,3S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-p...) Show SMILES C[C@H]([C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O)c1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C22H26N2O4/c1-12-8-17(25)9-13(2)19(12)14(3)20(23)21(26)24-11-16-7-5-4-6-15(16)10-18(24)22(27)28/h4-9,14,18,20,25H,10-11,23H2,1-3H3,(H,27,28)/t14-,18-,20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards mu-opioid receptor by displacement of [3H]-DAMGO radioligand from guinea pig ileum				Bioorg Med Chem Lett 7: 3049-3052 (1997) Article DOI: 10.1016/S0960-894X(97)10145-7 BindingDB Entry DOI: 10.7270/Q2H13211
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50290891 ((S)-2-[(2R,3R)-2-Amino-3-(4-hydroxy-2,6-dimethyl-p...) Show SMILES C[C@@H]([C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O)c1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C22H26N2O4/c1-12-8-17(25)9-13(2)19(12)14(3)20(23)21(26)24-11-16-7-5-4-6-15(16)10-18(24)22(27)28/h4-9,14,18,20,25H,10-11,23H2,1-3H3,(H,27,28)/t14-,18+,20-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards mu-opioid receptor by displacement of [3H]-DAMGO radioligand from guinea pig ileum				Bioorg Med Chem Lett 7: 3049-3052 (1997) Article DOI: 10.1016/S0960-894X(97)10145-7 BindingDB Entry DOI: 10.7270/Q2H13211
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50290889 ((S)-2-[(2R,3S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-p...) Show SMILES C[C@H]([C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O)c1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C22H26N2O4/c1-12-8-17(25)9-13(2)19(12)14(3)20(23)21(26)24-11-16-7-5-4-6-15(16)10-18(24)22(27)28/h4-9,14,18,20,25H,10-11,23H2,1-3H3,(H,27,28)/t14-,18-,20+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards mu-opioid receptor by displacement of [3H]-DAMGO radioligand from guinea pig ileum				Bioorg Med Chem Lett 7: 3049-3052 (1997) Article DOI: 10.1016/S0960-894X(97)10145-7 BindingDB Entry DOI: 10.7270/Q2H13211
					More data for this Ligand-Target Pair