Compile Data Set for Download or QSAR

Found 17 hits with Last Name = 'czakó' and Initial = 'b'   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50318416 (7alpha-(1-Hydroxy-1-methyl-ethyl)-6-phenyl-6-demet...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]31C[C@H](C(C)(C)C)[C@@]4(C=C1)c1ccccc1)ccc5O |r,wU:11.12,wD:5.5,4.8,14.17,12.25,19.26,c:24,(23.09,-14.49,;24.42,-13.73,;25.17,-15.04,;26.9,-15.07,;28.41,-14.49,;29.75,-13.72,;30.67,-15.2,;29.74,-16.81,;28.42,-16.04,;27.08,-16.79,;25.75,-16.04,;25.75,-14.49,;27.07,-13.71,;27.07,-12.18,;28.41,-11.4,;28.41,-9.86,;29.73,-9.09,;27.08,-9.1,;28.39,-8.33,;29.74,-12.18,;28.68,-12.53,;28.17,-13.3,;31.08,-11.4,;32.42,-12.17,;33.75,-11.39,;33.75,-9.84,;32.4,-9.08,;31.07,-9.86,;27.07,-18.33,;28.4,-19.1,;29.74,-18.33,;31.07,-19.11,)| Show InChI InChI=1S/C29H33NO2/c1-26(2,3)21-17-27-12-13-28(21,19-8-6-5-7-9-19)25-29(27)14-15-30(4)22(27)16-18-10-11-20(31)24(32-25)23(18)29/h5-13,21-22,25,31H,14-17H2,1-4H3/t21-,22-,25+,27-,28-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
University of Debrecen Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor from Wistar rat brain by liquid scintillation counting				Bioorg Med Chem 18: 3535-42 (2010) Article DOI: 10.1016/j.bmc.2010.03.068 BindingDB Entry DOI: 10.7270/Q2JS9QK7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50318412 (7alpha-(1-Hydroxy-1-methyl-ethyl)-6-propoxy-6-deme...) Show SMILES CCCO[C@]12C=C[C@@]3(C[C@@H]1C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,wU:14.30,wD:23.23,24.32,9.10,7.6,4.3,c:5,(1.44,-11.96,;.13,-11.21,;-1.18,-11.97,;-2.5,-11.22,;-3.84,-12,;-4.9,-12.35,;-5.41,-13.12,;-6.51,-13.54,;-6.51,-12,;-5.17,-11.22,;-5.17,-9.68,;-3.85,-8.91,;-6.51,-8.92,;-5.19,-8.15,;-7.84,-14.32,;-7.84,-15.86,;-6.51,-16.62,;-6.51,-18.16,;-5.18,-18.93,;-3.84,-18.16,;-2.51,-18.94,;-3.84,-16.64,;-2.91,-15.03,;-3.83,-13.54,;-5.17,-14.31,;-6.68,-14.89,;-8.41,-14.87,;-9.17,-13.56,;-10.49,-14.32,;-5.17,-15.86,)| Show InChI InChI=1S/C26H35NO3/c1-6-13-29-26-10-9-24(15-18(26)23(2,3)4)19-14-16-7-8-17(28)21-20(16)25(24,22(26)30-21)11-12-27(19)5/h7-10,18-19,22,28H,6,11-15H2,1-5H3/t18-,19-,22-,24-,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
University of Debrecen Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor from Wistar rat brain by liquid scintillation counting				Bioorg Med Chem 18: 3535-42 (2010) Article DOI: 10.1016/j.bmc.2010.03.068 BindingDB Entry DOI: 10.7270/Q2JS9QK7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50318415 (7alpha-(1-Hydroxy-1-methyl-ethyl)-6-(cyclopropylme...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]31C[C@H](C(C)(C)C)[C@]4(OCC2CC2)C=C1)ccc5O |r,wU:11.12,wD:5.5,4.8,14.17,12.31,19.23,c:30,(6.18,-14.36,;7.51,-13.59,;8.27,-14.91,;9.99,-14.93,;11.51,-14.35,;12.85,-13.58,;13.77,-15.06,;12.84,-16.68,;11.51,-15.9,;10.17,-16.66,;8.84,-15.9,;8.84,-14.36,;10.17,-13.58,;10.17,-12.04,;11.51,-11.26,;11.5,-9.72,;12.83,-8.95,;10.17,-8.95,;11.49,-8.18,;12.84,-12.04,;14.18,-11.26,;15.49,-12.01,;16.8,-11.25,;18.31,-11.24,;17.55,-9.93,;11.78,-12.39,;11.27,-13.16,;10.17,-18.2,;11.5,-18.97,;12.84,-18.2,;14.17,-18.97,)| Show InChI InChI=1S/C27H35NO3/c1-24(2,3)19-14-25-9-10-27(19,30-15-16-5-6-16)23-26(25)11-12-28(4)20(25)13-17-7-8-18(29)22(31-23)21(17)26/h7-10,16,19-20,23,29H,5-6,11-15H2,1-4H3/t19-,20-,23-,25-,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
University of Debrecen Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor from Wistar rat brain by liquid scintillation counting				Bioorg Med Chem 18: 3535-42 (2010) Article DOI: 10.1016/j.bmc.2010.03.068 BindingDB Entry DOI: 10.7270/Q2JS9QK7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50318413 (7alpha-(1-Hydroxy-1-methyl-ethyl)-6-ethoxy-6-demet...) Show SMILES CCO[C@]12C=C[C@@]3(C[C@@H]1C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,wU:13.29,wD:22.22,23.31,8.9,6.5,3.2,c:4,(32.35,2.87,;31.04,2.11,;29.73,2.86,;28.39,2.08,;27.33,1.73,;26.82,.96,;25.72,.54,;25.72,2.08,;27.06,2.86,;27.05,4.4,;28.38,5.17,;25.72,5.16,;27.04,5.93,;24.39,-.24,;24.39,-1.78,;25.72,-2.54,;25.72,-4.08,;27.05,-4.85,;28.39,-4.08,;29.72,-4.85,;28.39,-2.56,;29.32,-.95,;28.39,.54,;27.06,-.23,;25.54,-.81,;23.82,-.79,;23.06,.52,;21.73,-.24,;27.06,-1.78,)| Show InChI InChI=1S/C25H33NO3/c1-6-28-25-10-9-23(14-17(25)22(2,3)4)18-13-15-7-8-16(27)20-19(15)24(23,21(25)29-20)11-12-26(18)5/h7-10,17-18,21,27H,6,11-14H2,1-5H3/t17-,18-,21-,23-,24+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
University of Debrecen Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor from Wistar rat brain by liquid scintillation counting				Bioorg Med Chem 18: 3535-42 (2010) Article DOI: 10.1016/j.bmc.2010.03.068 BindingDB Entry DOI: 10.7270/Q2JS9QK7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50318414 (7alpha-(1-Hydroxy-1-methyl-ethyl)-6,7,8,14-tetrahy...) Show SMILES CO[C@]12C=C[C@@]3(C[C@@H]1C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,wU:12.28,wD:21.21,22.30,7.8,5.4,2.1,c:3,(13.48,2.74,;12.17,3.49,;10.83,2.71,;9.77,2.36,;9.26,1.59,;8.16,1.17,;8.16,2.71,;9.5,3.49,;9.49,5.03,;10.82,5.8,;8.16,5.79,;9.48,6.56,;6.83,.39,;6.83,-1.15,;8.16,-1.91,;8.16,-3.45,;9.49,-4.22,;10.83,-3.45,;12.16,-4.22,;10.83,-1.93,;11.76,-.31,;10.84,1.17,;9.5,.4,;7.99,-.18,;6.26,-.16,;5.5,1.16,;4.18,.39,;9.5,-1.15,)| Show InChI InChI=1S/C24H31NO3/c1-21(2,3)16-13-22-8-9-24(16,27-5)20-23(22)10-11-25(4)17(22)12-14-6-7-15(26)19(28-20)18(14)23/h6-9,16-17,20,26H,10-13H2,1-5H3/t16-,17-,20-,22-,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
University of Debrecen Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor from Wistar rat brain by liquid scintillation counting				Bioorg Med Chem 18: 3535-42 (2010) Article DOI: 10.1016/j.bmc.2010.03.068 BindingDB Entry DOI: 10.7270/Q2JS9QK7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.64	n/a	n/a	n/a	n/a	n/a	n/a
University of Debrecen Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor from Wistar rat brain by liquid scintillation counting				Bioorg Med Chem 18: 3535-42 (2010) Article DOI: 10.1016/j.bmc.2010.03.068 BindingDB Entry DOI: 10.7270/Q2JS9QK7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50318413 (7alpha-(1-Hydroxy-1-methyl-ethyl)-6-ethoxy-6-demet...) Show SMILES CCO[C@]12C=C[C@@]3(C[C@@H]1C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,wU:13.29,wD:22.22,23.31,8.9,6.5,3.2,c:4,(32.35,2.87,;31.04,2.11,;29.73,2.86,;28.39,2.08,;27.33,1.73,;26.82,.96,;25.72,.54,;25.72,2.08,;27.06,2.86,;27.05,4.4,;28.38,5.17,;25.72,5.16,;27.04,5.93,;24.39,-.24,;24.39,-1.78,;25.72,-2.54,;25.72,-4.08,;27.05,-4.85,;28.39,-4.08,;29.72,-4.85,;28.39,-2.56,;29.32,-.95,;28.39,.54,;27.06,-.23,;25.54,-.81,;23.82,-.79,;23.06,.52,;21.73,-.24,;27.06,-1.78,)| Show InChI InChI=1S/C25H33NO3/c1-6-28-25-10-9-23(14-17(25)22(2,3)4)18-13-15-7-8-16(27)20-19(15)24(23,21(25)29-20)11-12-26(18)5/h7-10,17-18,21,27H,6,11-14H2,1-5H3/t17-,18-,21-,23-,24+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
University of Debrecen Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin-2 from delta opioid receptor from Wistar rat brain by liquid scintillation counting				Bioorg Med Chem 18: 3535-42 (2010) Article DOI: 10.1016/j.bmc.2010.03.068 BindingDB Entry DOI: 10.7270/Q2JS9QK7
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50318412 (7alpha-(1-Hydroxy-1-methyl-ethyl)-6-propoxy-6-deme...) Show SMILES CCCO[C@]12C=C[C@@]3(C[C@@H]1C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,wU:14.30,wD:23.23,24.32,9.10,7.6,4.3,c:5,(1.44,-11.96,;.13,-11.21,;-1.18,-11.97,;-2.5,-11.22,;-3.84,-12,;-4.9,-12.35,;-5.41,-13.12,;-6.51,-13.54,;-6.51,-12,;-5.17,-11.22,;-5.17,-9.68,;-3.85,-8.91,;-6.51,-8.92,;-5.19,-8.15,;-7.84,-14.32,;-7.84,-15.86,;-6.51,-16.62,;-6.51,-18.16,;-5.18,-18.93,;-3.84,-18.16,;-2.51,-18.94,;-3.84,-16.64,;-2.91,-15.03,;-3.83,-13.54,;-5.17,-14.31,;-6.68,-14.89,;-8.41,-14.87,;-9.17,-13.56,;-10.49,-14.32,;-5.17,-15.86,)| Show InChI InChI=1S/C26H35NO3/c1-6-13-29-26-10-9-24(15-18(26)23(2,3)4)19-14-16-7-8-17(28)21-20(16)25(24,22(26)30-21)11-12-27(19)5/h7-10,18-19,22,28H,6,11-15H2,1-5H3/t18-,19-,22-,24-,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
University of Debrecen Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin-2 from delta opioid receptor from Wistar rat brain by liquid scintillation counting				Bioorg Med Chem 18: 3535-42 (2010) Article DOI: 10.1016/j.bmc.2010.03.068 BindingDB Entry DOI: 10.7270/Q2JS9QK7
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	404	n/a	n/a	n/a	n/a	n/a	n/a
University of Debrecen Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin-2 from delta opioid receptor from Wistar rat brain by liquid scintillation counting				Bioorg Med Chem 18: 3535-42 (2010) Article DOI: 10.1016/j.bmc.2010.03.068 BindingDB Entry DOI: 10.7270/Q2JS9QK7
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50318416 (7alpha-(1-Hydroxy-1-methyl-ethyl)-6-phenyl-6-demet...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]31C[C@H](C(C)(C)C)[C@@]4(C=C1)c1ccccc1)ccc5O |r,wU:11.12,wD:5.5,4.8,14.17,12.25,19.26,c:24,(23.09,-14.49,;24.42,-13.73,;25.17,-15.04,;26.9,-15.07,;28.41,-14.49,;29.75,-13.72,;30.67,-15.2,;29.74,-16.81,;28.42,-16.04,;27.08,-16.79,;25.75,-16.04,;25.75,-14.49,;27.07,-13.71,;27.07,-12.18,;28.41,-11.4,;28.41,-9.86,;29.73,-9.09,;27.08,-9.1,;28.39,-8.33,;29.74,-12.18,;28.68,-12.53,;28.17,-13.3,;31.08,-11.4,;32.42,-12.17,;33.75,-11.39,;33.75,-9.84,;32.4,-9.08,;31.07,-9.86,;27.07,-18.33,;28.4,-19.1,;29.74,-18.33,;31.07,-19.11,)| Show InChI InChI=1S/C29H33NO2/c1-26(2,3)21-17-27-12-13-28(21,19-8-6-5-7-9-19)25-29(27)14-15-30(4)22(27)16-18-10-11-20(31)24(32-25)23(18)29/h5-13,21-22,25,31H,14-17H2,1-4H3/t21-,22-,25+,27-,28-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
University of Debrecen Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin-2 from delta opioid receptor from Wistar rat brain by liquid scintillation counting				Bioorg Med Chem 18: 3535-42 (2010) Article DOI: 10.1016/j.bmc.2010.03.068 BindingDB Entry DOI: 10.7270/Q2JS9QK7
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50318415 (7alpha-(1-Hydroxy-1-methyl-ethyl)-6-(cyclopropylme...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]31C[C@H](C(C)(C)C)[C@]4(OCC2CC2)C=C1)ccc5O |r,wU:11.12,wD:5.5,4.8,14.17,12.31,19.23,c:30,(6.18,-14.36,;7.51,-13.59,;8.27,-14.91,;9.99,-14.93,;11.51,-14.35,;12.85,-13.58,;13.77,-15.06,;12.84,-16.68,;11.51,-15.9,;10.17,-16.66,;8.84,-15.9,;8.84,-14.36,;10.17,-13.58,;10.17,-12.04,;11.51,-11.26,;11.5,-9.72,;12.83,-8.95,;10.17,-8.95,;11.49,-8.18,;12.84,-12.04,;14.18,-11.26,;15.49,-12.01,;16.8,-11.25,;18.31,-11.24,;17.55,-9.93,;11.78,-12.39,;11.27,-13.16,;10.17,-18.2,;11.5,-18.97,;12.84,-18.2,;14.17,-18.97,)| Show InChI InChI=1S/C27H35NO3/c1-24(2,3)19-14-25-9-10-27(19,30-15-16-5-6-16)23-26(25)11-12-28(4)20(25)13-17-7-8-18(29)22(31-23)21(17)26/h7-10,16,19-20,23,29H,5-6,11-15H2,1-4H3/t19-,20-,23-,25-,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
University of Debrecen Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin-2 from delta opioid receptor from Wistar rat brain by liquid scintillation counting				Bioorg Med Chem 18: 3535-42 (2010) Article DOI: 10.1016/j.bmc.2010.03.068 BindingDB Entry DOI: 10.7270/Q2JS9QK7
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50318414 (7alpha-(1-Hydroxy-1-methyl-ethyl)-6,7,8,14-tetrahy...) Show SMILES CO[C@]12C=C[C@@]3(C[C@@H]1C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,wU:12.28,wD:21.21,22.30,7.8,5.4,2.1,c:3,(13.48,2.74,;12.17,3.49,;10.83,2.71,;9.77,2.36,;9.26,1.59,;8.16,1.17,;8.16,2.71,;9.5,3.49,;9.49,5.03,;10.82,5.8,;8.16,5.79,;9.48,6.56,;6.83,.39,;6.83,-1.15,;8.16,-1.91,;8.16,-3.45,;9.49,-4.22,;10.83,-3.45,;12.16,-4.22,;10.83,-1.93,;11.76,-.31,;10.84,1.17,;9.5,.4,;7.99,-.18,;6.26,-.16,;5.5,1.16,;4.18,.39,;9.5,-1.15,)| Show InChI InChI=1S/C24H31NO3/c1-21(2,3)16-13-22-8-9-24(16,27-5)20-23(22)10-11-25(4)17(22)12-14-6-7-15(26)19(28-20)18(14)23/h6-9,16-17,20,26H,10-13H2,1-5H3/t16-,17-,20-,22-,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Debrecen Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin-2 from delta opioid receptor from Wistar rat brain by liquid scintillation counting				Bioorg Med Chem 18: 3535-42 (2010) Article DOI: 10.1016/j.bmc.2010.03.068 BindingDB Entry DOI: 10.7270/Q2JS9QK7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50318414 (7alpha-(1-Hydroxy-1-methyl-ethyl)-6,7,8,14-tetrahy...) Show SMILES CO[C@]12C=C[C@@]3(C[C@@H]1C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,wU:12.28,wD:21.21,22.30,7.8,5.4,2.1,c:3,(13.48,2.74,;12.17,3.49,;10.83,2.71,;9.77,2.36,;9.26,1.59,;8.16,1.17,;8.16,2.71,;9.5,3.49,;9.49,5.03,;10.82,5.8,;8.16,5.79,;9.48,6.56,;6.83,.39,;6.83,-1.15,;8.16,-1.91,;8.16,-3.45,;9.49,-4.22,;10.83,-3.45,;12.16,-4.22,;10.83,-1.93,;11.76,-.31,;10.84,1.17,;9.5,.4,;7.99,-.18,;6.26,-.16,;5.5,1.16,;4.18,.39,;9.5,-1.15,)| Show InChI InChI=1S/C24H31NO3/c1-21(2,3)16-13-22-8-9-24(16,27-5)20-23(22)10-11-25(4)17(22)12-14-6-7-15(26)19(28-20)18(14)23/h6-9,16-17,20,26H,10-13H2,1-5H3/t16-,17-,20-,22-,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	11.9	n/a	n/a	n/a	n/a
University of Debrecen Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in Swiss albino mouse ileum assessed as inhibition of electrically-stimulated muscle contraction				Bioorg Med Chem 18: 3535-42 (2010) Article DOI: 10.1016/j.bmc.2010.03.068 BindingDB Entry DOI: 10.7270/Q2JS9QK7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50318413 (7alpha-(1-Hydroxy-1-methyl-ethyl)-6-ethoxy-6-demet...) Show SMILES CCO[C@]12C=C[C@@]3(C[C@@H]1C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,wU:13.29,wD:22.22,23.31,8.9,6.5,3.2,c:4,(32.35,2.87,;31.04,2.11,;29.73,2.86,;28.39,2.08,;27.33,1.73,;26.82,.96,;25.72,.54,;25.72,2.08,;27.06,2.86,;27.05,4.4,;28.38,5.17,;25.72,5.16,;27.04,5.93,;24.39,-.24,;24.39,-1.78,;25.72,-2.54,;25.72,-4.08,;27.05,-4.85,;28.39,-4.08,;29.72,-4.85,;28.39,-2.56,;29.32,-.95,;28.39,.54,;27.06,-.23,;25.54,-.81,;23.82,-.79,;23.06,.52,;21.73,-.24,;27.06,-1.78,)| Show InChI InChI=1S/C25H33NO3/c1-6-28-25-10-9-23(14-17(25)22(2,3)4)18-13-15-7-8-16(27)20-19(15)24(23,21(25)29-20)11-12-26(18)5/h7-10,17-18,21,27H,6,11-14H2,1-5H3/t17-,18-,21-,23-,24+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	44	n/a	n/a	n/a	n/a
University of Debrecen Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in Swiss albino mouse ileum assessed as inhibition of electrically-stimulated muscle contraction				Bioorg Med Chem 18: 3535-42 (2010) Article DOI: 10.1016/j.bmc.2010.03.068 BindingDB Entry DOI: 10.7270/Q2JS9QK7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50318412 (7alpha-(1-Hydroxy-1-methyl-ethyl)-6-propoxy-6-deme...) Show SMILES CCCO[C@]12C=C[C@@]3(C[C@@H]1C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,wU:14.30,wD:23.23,24.32,9.10,7.6,4.3,c:5,(1.44,-11.96,;.13,-11.21,;-1.18,-11.97,;-2.5,-11.22,;-3.84,-12,;-4.9,-12.35,;-5.41,-13.12,;-6.51,-13.54,;-6.51,-12,;-5.17,-11.22,;-5.17,-9.68,;-3.85,-8.91,;-6.51,-8.92,;-5.19,-8.15,;-7.84,-14.32,;-7.84,-15.86,;-6.51,-16.62,;-6.51,-18.16,;-5.18,-18.93,;-3.84,-18.16,;-2.51,-18.94,;-3.84,-16.64,;-2.91,-15.03,;-3.83,-13.54,;-5.17,-14.31,;-6.68,-14.89,;-8.41,-14.87,;-9.17,-13.56,;-10.49,-14.32,;-5.17,-15.86,)| Show InChI InChI=1S/C26H35NO3/c1-6-13-29-26-10-9-24(15-18(26)23(2,3)4)19-14-16-7-8-17(28)21-20(16)25(24,22(26)30-21)11-12-27(19)5/h7-10,18-19,22,28H,6,11-15H2,1-5H3/t18-,19-,22-,24-,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.99	n/a	n/a	n/a	n/a
University of Debrecen Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in Swiss albino mouse ileum assessed as inhibition of electrically-stimulated muscle contraction				Bioorg Med Chem 18: 3535-42 (2010) Article DOI: 10.1016/j.bmc.2010.03.068 BindingDB Entry DOI: 10.7270/Q2JS9QK7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50318415 (7alpha-(1-Hydroxy-1-methyl-ethyl)-6-(cyclopropylme...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]31C[C@H](C(C)(C)C)[C@]4(OCC2CC2)C=C1)ccc5O |r,wU:11.12,wD:5.5,4.8,14.17,12.31,19.23,c:30,(6.18,-14.36,;7.51,-13.59,;8.27,-14.91,;9.99,-14.93,;11.51,-14.35,;12.85,-13.58,;13.77,-15.06,;12.84,-16.68,;11.51,-15.9,;10.17,-16.66,;8.84,-15.9,;8.84,-14.36,;10.17,-13.58,;10.17,-12.04,;11.51,-11.26,;11.5,-9.72,;12.83,-8.95,;10.17,-8.95,;11.49,-8.18,;12.84,-12.04,;14.18,-11.26,;15.49,-12.01,;16.8,-11.25,;18.31,-11.24,;17.55,-9.93,;11.78,-12.39,;11.27,-13.16,;10.17,-18.2,;11.5,-18.97,;12.84,-18.2,;14.17,-18.97,)| Show InChI InChI=1S/C27H35NO3/c1-24(2,3)19-14-25-9-10-27(19,30-15-16-5-6-16)23-26(25)11-12-28(4)20(25)13-17-7-8-18(29)22(31-23)21(17)26/h7-10,16,19-20,23,29H,5-6,11-15H2,1-4H3/t19-,20-,23-,25-,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a
University of Debrecen Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in Swiss albino mouse ileum assessed as inhibition of electrically-stimulated muscle contraction				Bioorg Med Chem 18: 3535-42 (2010) Article DOI: 10.1016/j.bmc.2010.03.068 BindingDB Entry DOI: 10.7270/Q2JS9QK7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	85.5	n/a	n/a	n/a	n/a
University of Debrecen Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in Swiss albino mouse ileum assessed as inhibition of electrically-stimulated muscle contraction				Bioorg Med Chem 18: 3535-42 (2010) Article DOI: 10.1016/j.bmc.2010.03.068 BindingDB Entry DOI: 10.7270/Q2JS9QK7
					More data for this Ligand-Target Pair				3D Structure (crystal)