Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50035445   

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))	BDBM50221787 (CHEMBL3216418) Show SMILES Cl.Cl.Cc1cc(O)cc(C)c1CC(N)C(=O)NCCCc1nc(O)c(CCCNC(=O)C(N)Cc2c(C)cc(O)cc2C)nc1C Show InChI InChI=1S/C33H46N6O5.2ClH/c1-18-12-23(40)13-19(2)25(18)16-27(34)31(42)36-10-6-8-29-22(5)38-30(33(44)39-29)9-7-11-37-32(43)28(35)17-26-20(3)14-24(41)15-21(26)4;;/h12-15,27-28,40-41H,6-11,16-17,34-35H2,1-5H3,(H,36,42)(H,37,43)(H,39,44);2*1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for Opioid receptor mu 1 agonism in isolated tissues from guinea pig ileum				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50221778 (CHEMBL3216392) Show SMILES Cl.Cl.Cc1cc(O)cc(C)c1CC(N)C(=O)NCCCCc1nc(O)c(CCCCNC(=O)C(N)Cc2c(C)cc(O)cc2C)nc1C Show InChI InChI=1S/C35H50N6O5.2ClH/c1-20-14-25(42)15-21(2)27(20)18-29(36)33(44)38-12-8-6-10-31-24(5)40-32(35(46)41-31)11-7-9-13-39-34(45)30(37)19-28-22(3)16-26(43)17-23(28)4;;/h14-17,29-30,42-43H,6-13,18-19,36-37H2,1-5H3,(H,38,44)(H,39,45)(H,41,46);2*1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for binding affinity towards Opioid receptor mu 1 by displacing [3H]DAGO radioligand in rat brain P2 synaptosomes membranes.				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50221781 (CHEMBL3215968) Show SMILES Cl.Cl.Cc1cc(O)cc(C)c1CC(N)C(=O)NCCc1nc(O)c(CCNC(=O)C(N)Cc2c(C)cc(O)cc2C)nc1C Show InChI InChI=1S/C31H42N6O5.2ClH/c1-16-10-21(38)11-17(2)23(16)14-25(32)29(40)34-8-6-27-20(5)36-28(31(42)37-27)7-9-35-30(41)26(33)15-24-18(3)12-22(39)13-19(24)4;;/h10-13,25-26,38-39H,6-9,14-15,32-33H2,1-5H3,(H,34,40)(H,35,41)(H,37,42);2*1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for Opioid receptor mu 1 agonism in isolated tissues from guinea pig ileum				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50221780 (CHEMBL3217089) Show SMILES Cl.Cl.Cc1cc(O)cc(C)c1CC(N)C(=O)NCc1nc(O)c(CNC(=O)C(N)Cc2c(C)cc(O)cc2C)nc1C Show InChI InChI=1S/C29H38N6O5.2ClH/c1-14-6-19(36)7-15(2)21(14)10-23(30)27(38)32-12-25-18(5)34-26(29(40)35-25)13-33-28(39)24(31)11-22-16(3)8-20(37)9-17(22)4;;/h6-9,23-24,36-37H,10-13,30-31H2,1-5H3,(H,32,38)(H,33,39)(H,35,40);2*1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for binding affinity towards Opioid receptor mu 1 by displacing [3H]DAGO radioligand in rat brain P2 synaptosomes membranes.				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50221781 (CHEMBL3215968) Show SMILES Cl.Cl.Cc1cc(O)cc(C)c1CC(N)C(=O)NCCc1nc(O)c(CCNC(=O)C(N)Cc2c(C)cc(O)cc2C)nc1C Show InChI InChI=1S/C31H42N6O5.2ClH/c1-16-10-21(38)11-17(2)23(16)14-25(32)29(40)34-8-6-27-20(5)36-28(31(42)37-27)7-9-35-30(41)26(33)15-24-18(3)12-22(39)13-19(24)4;;/h10-13,25-26,38-39H,6-9,14-15,32-33H2,1-5H3,(H,34,40)(H,35,41)(H,37,42);2*1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for binding affinity towards opioid receptor delta 1 by displacing [3H]DPDPE radioligand in rat brain P2 synaptosomes membranes.				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50221787 (CHEMBL3216418) Show SMILES Cl.Cl.Cc1cc(O)cc(C)c1CC(N)C(=O)NCCCc1nc(O)c(CCCNC(=O)C(N)Cc2c(C)cc(O)cc2C)nc1C Show InChI InChI=1S/C33H46N6O5.2ClH/c1-18-12-23(40)13-19(2)25(18)16-27(34)31(42)36-10-6-8-29-22(5)38-30(33(44)39-29)9-7-11-37-32(43)28(35)17-26-20(3)14-24(41)15-21(26)4;;/h12-15,27-28,40-41H,6-11,16-17,34-35H2,1-5H3,(H,36,42)(H,37,43)(H,39,44);2*1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description pA2 is the negative log of the molar concentration required to double the agonism of opioid receptor delta 1				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50221780 (CHEMBL3217089) Show SMILES Cl.Cl.Cc1cc(O)cc(C)c1CC(N)C(=O)NCc1nc(O)c(CNC(=O)C(N)Cc2c(C)cc(O)cc2C)nc1C Show InChI InChI=1S/C29H38N6O5.2ClH/c1-14-6-19(36)7-15(2)21(14)10-23(30)27(38)32-12-25-18(5)34-26(29(40)35-25)13-33-28(39)24(31)11-22-16(3)8-20(37)9-17(22)4;;/h6-9,23-24,36-37H,10-13,30-31H2,1-5H3,(H,32,38)(H,33,39)(H,35,40);2*1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for binding affinity towards opioid receptor delta 1 by displacing [3H]DPDPE radioligand in rat brain P2 synaptosomes membranes.				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50221778 (CHEMBL3216392) Show SMILES Cl.Cl.Cc1cc(O)cc(C)c1CC(N)C(=O)NCCCCc1nc(O)c(CCCCNC(=O)C(N)Cc2c(C)cc(O)cc2C)nc1C Show InChI InChI=1S/C35H50N6O5.2ClH/c1-20-14-25(42)15-21(2)27(20)18-29(36)33(44)38-12-8-6-10-31-24(5)40-32(35(46)41-31)11-7-9-13-39-34(45)30(37)19-28-22(3)16-26(43)17-23(28)4;;/h14-17,29-30,42-43H,6-13,18-19,36-37H2,1-5H3,(H,38,44)(H,39,45)(H,41,46);2*1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for Opioid receptor mu 1 agonism in isolated tissues from guinea pig ileum				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50221779 (CHEMBL3215974) Show SMILES Cl.Cl.Cc1nc(CCCNC(=O)C(N)Cc2ccc(O)cc2)c(O)nc1CCCNC(=O)C(N)Cc1ccc(O)cc1 Show InChI InChI=1S/C29H38N6O5.2ClH/c1-18-25(4-2-14-32-27(38)23(30)16-19-6-10-21(36)11-7-19)35-29(40)26(34-18)5-3-15-33-28(39)24(31)17-20-8-12-22(37)13-9-20;;/h6-13,23-24,36-37H,2-5,14-17,30-31H2,1H3,(H,32,38)(H,33,39)(H,35,40);2*1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for binding affinity towards Opioid receptor mu 1 by displacing [3H]DAGO radioligand in rat brain P2 synaptosomes membranes.				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50221782 (CHEMBL3215530) Show SMILES Cl.Cl.Cc1nc(CCCCNC(=O)C(N)Cc2ccc(O)cc2)c(O)nc1CCCCNC(=O)C(N)Cc1ccc(O)cc1 Show InChI InChI=1S/C31H42N6O5.2ClH/c1-20-27(6-2-4-16-34-29(40)25(32)18-21-8-12-23(38)13-9-21)37-31(42)28(36-20)7-3-5-17-35-30(41)26(33)19-22-10-14-24(39)15-11-22;;/h8-15,25-26,38-39H,2-7,16-19,32-33H2,1H3,(H,34,40)(H,35,41)(H,37,42);2*1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for binding affinity towards Opioid receptor mu 1 by displacing [3H]DAGO radioligand in rat brain P2 synaptosomes membranes.				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50146023 (2-Amino-N-[2-(5-{2-[2-amino-3-(4-hydroxy-phenyl)-p...) Show SMILES Cl.Cl.Cc1nc(CCNC(=O)C(N)Cc2ccc(O)cc2)c(=O)[nH]c1CCNC(=O)C(N)Cc1ccc(O)cc1 Show InChI InChI=1S/C27H34N6O5/c1-16-23(10-12-30-25(36)21(28)14-17-2-6-19(34)7-3-17)33-27(38)24(32-16)11-13-31-26(37)22(29)15-18-4-8-20(35)9-5-18/h2-9,21-22,34-35H,10-15,28-29H2,1H3,(H,30,36)(H,31,37)(H,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	309	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for binding affinity towards Opioid receptor mu 1 by displacing [3H]DAGO radioligand in rat brain P2 synaptosomes membranes.				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50221779 (CHEMBL3215974) Show SMILES Cl.Cl.Cc1nc(CCCNC(=O)C(N)Cc2ccc(O)cc2)c(O)nc1CCCNC(=O)C(N)Cc1ccc(O)cc1 Show InChI InChI=1S/C29H38N6O5.2ClH/c1-18-25(4-2-14-32-27(38)23(30)16-19-6-10-21(36)11-7-19)35-29(40)26(34-18)5-3-15-33-28(39)24(31)17-20-8-12-22(37)13-9-20;;/h6-13,23-24,36-37H,2-5,14-17,30-31H2,1H3,(H,32,38)(H,33,39)(H,35,40);2*1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	435	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for binding affinity towards opioid receptor delta 1 by displacing [3H]DPDPE radioligand in rat brain P2 synaptosomes membranes.				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50146020 (2-Amino-N-(5-{[2-amino-3-(4-hydroxy-phenyl)-propio...) Show SMILES Cl.Cl.Cc1nc(CNC(=O)C(N)Cc2ccc(O)cc2)c(=O)[nH]c1CNC(=O)C(N)Cc1ccc(O)cc1 Show InChI InChI=1S/C25H30N6O5/c1-14-21(12-28-23(34)19(26)10-15-2-6-17(32)7-3-15)31-25(36)22(30-14)13-29-24(35)20(27)11-16-4-8-18(33)9-5-16/h2-9,19-20,32-33H,10-13,26-27H2,1H3,(H,28,34)(H,29,35)(H,31,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for binding affinity towards Opioid receptor mu 1 by displacing [3H]DAGO radioligand in rat brain P2 synaptosomes membranes.				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50146020 (2-Amino-N-(5-{[2-amino-3-(4-hydroxy-phenyl)-propio...) Show SMILES Cl.Cl.Cc1nc(CNC(=O)C(N)Cc2ccc(O)cc2)c(=O)[nH]c1CNC(=O)C(N)Cc1ccc(O)cc1 Show InChI InChI=1S/C25H30N6O5/c1-14-21(12-28-23(34)19(26)10-15-2-6-17(32)7-3-15)31-25(36)22(30-14)13-29-24(35)20(27)11-16-4-8-18(33)9-5-16/h2-9,19-20,32-33H,10-13,26-27H2,1H3,(H,28,34)(H,29,35)(H,31,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for binding affinity towards opioid receptor delta 1 by displacing [3H]DPDPE radioligand in rat brain P2 synaptosomes membranes.				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50221782 (CHEMBL3215530) Show SMILES Cl.Cl.Cc1nc(CCCCNC(=O)C(N)Cc2ccc(O)cc2)c(O)nc1CCCCNC(=O)C(N)Cc1ccc(O)cc1 Show InChI InChI=1S/C31H42N6O5.2ClH/c1-20-27(6-2-4-16-34-29(40)25(32)18-21-8-12-23(38)13-9-21)37-31(42)28(36-20)7-3-5-17-35-30(41)26(33)19-22-10-14-24(39)15-11-22;;/h8-15,25-26,38-39H,2-7,16-19,32-33H2,1H3,(H,34,40)(H,35,41)(H,37,42);2*1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for binding affinity towards opioid receptor delta 1 by displacing [3H]DPDPE radioligand in rat brain P2 synaptosomes membranes.				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50146023 (2-Amino-N-[2-(5-{2-[2-amino-3-(4-hydroxy-phenyl)-p...) Show SMILES Cl.Cl.Cc1nc(CCNC(=O)C(N)Cc2ccc(O)cc2)c(=O)[nH]c1CCNC(=O)C(N)Cc1ccc(O)cc1 Show InChI InChI=1S/C27H34N6O5/c1-16-23(10-12-30-25(36)21(28)14-17-2-6-19(34)7-3-17)33-27(38)24(32-16)11-13-31-26(37)22(29)15-18-4-8-20(35)9-5-18/h2-9,21-22,34-35H,10-15,28-29H2,1H3,(H,30,36)(H,31,37)(H,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for binding affinity towards opioid receptor delta 1 by displacing [3H]DPDPE radioligand in rat brain P2 synaptosomes membranes.				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50221787 (CHEMBL3216418) Show SMILES Cl.Cl.Cc1cc(O)cc(C)c1CC(N)C(=O)NCCCc1nc(O)c(CCCNC(=O)C(N)Cc2c(C)cc(O)cc2C)nc1C Show InChI InChI=1S/C33H46N6O5.2ClH/c1-18-12-23(40)13-19(2)25(18)16-27(34)31(42)36-10-6-8-29-22(5)38-30(33(44)39-29)9-7-11-37-32(43)28(35)17-26-20(3)14-24(41)15-21(26)4;;/h12-15,27-28,40-41H,6-11,16-17,34-35H2,1-5H3,(H,36,42)(H,37,43)(H,39,44);2*1H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for Opioid receptor mu 1 agonism in isolated tissues from guinea pig ileum				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50221778 (CHEMBL3216392) Show SMILES Cl.Cl.Cc1cc(O)cc(C)c1CC(N)C(=O)NCCCCc1nc(O)c(CCCCNC(=O)C(N)Cc2c(C)cc(O)cc2C)nc1C Show InChI InChI=1S/C35H50N6O5.2ClH/c1-20-14-25(42)15-21(2)27(20)18-29(36)33(44)38-12-8-6-10-31-24(5)40-32(35(46)41-31)11-7-9-13-39-34(45)30(37)19-28-22(3)16-26(43)17-23(28)4;;/h14-17,29-30,42-43H,6-13,18-19,36-37H2,1-5H3,(H,38,44)(H,39,45)(H,41,46);2*1H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for Opioid receptor mu 1 agonism in isolated tissues from guinea pig ileum				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50221781 (CHEMBL3215968) Show SMILES Cl.Cl.Cc1cc(O)cc(C)c1CC(N)C(=O)NCCc1nc(O)c(CCNC(=O)C(N)Cc2c(C)cc(O)cc2C)nc1C Show InChI InChI=1S/C31H42N6O5.2ClH/c1-16-10-21(38)11-17(2)23(16)14-25(32)29(40)34-8-6-27-20(5)36-28(31(42)37-27)7-9-35-30(41)26(33)15-24-18(3)12-22(39)13-19(24)4;;/h10-13,25-26,38-39H,6-9,14-15,32-33H2,1-5H3,(H,34,40)(H,35,41)(H,37,42);2*1H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for Opioid receptor mu 1 agonism in isolated tissues from guinea pig ileum				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50221778 (CHEMBL3216392) Show SMILES Cl.Cl.Cc1cc(O)cc(C)c1CC(N)C(=O)NCCCCc1nc(O)c(CCCCNC(=O)C(N)Cc2c(C)cc(O)cc2C)nc1C Show InChI InChI=1S/C35H50N6O5.2ClH/c1-20-14-25(42)15-21(2)27(20)18-29(36)33(44)38-12-8-6-10-31-24(5)40-32(35(46)41-31)11-7-9-13-39-34(45)30(37)19-28-22(3)16-26(43)17-23(28)4;;/h14-17,29-30,42-43H,6-13,18-19,36-37H2,1-5H3,(H,38,44)(H,39,45)(H,41,46);2*1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description pA2 is the negative log of the molar concentration required to double the agonism of opioid receptor delta 1				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50221787 (CHEMBL3216418) Show SMILES Cl.Cl.Cc1cc(O)cc(C)c1CC(N)C(=O)NCCCc1nc(O)c(CCCNC(=O)C(N)Cc2c(C)cc(O)cc2C)nc1C Show InChI InChI=1S/C33H46N6O5.2ClH/c1-18-12-23(40)13-19(2)25(18)16-27(34)31(42)36-10-6-8-29-22(5)38-30(33(44)39-29)9-7-11-37-32(43)28(35)17-26-20(3)14-24(41)15-21(26)4;;/h12-15,27-28,40-41H,6-11,16-17,34-35H2,1-5H3,(H,36,42)(H,37,43)(H,39,44);2*1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for opioid receptor delta 1 agonism or antagonism in mouse vas deferens				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50221780 (CHEMBL3217089) Show SMILES Cl.Cl.Cc1cc(O)cc(C)c1CC(N)C(=O)NCc1nc(O)c(CNC(=O)C(N)Cc2c(C)cc(O)cc2C)nc1C Show InChI InChI=1S/C29H38N6O5.2ClH/c1-14-6-19(36)7-15(2)21(14)10-23(30)27(38)32-12-25-18(5)34-26(29(40)35-25)13-33-28(39)24(31)11-22-16(3)8-20(37)9-17(22)4;;/h6-9,23-24,36-37H,10-13,30-31H2,1-5H3,(H,32,38)(H,33,39)(H,35,40);2*1H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for Opioid receptor mu 1 agonism in isolated tissues from guinea pig ileum				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50221781 (CHEMBL3215968) Show SMILES Cl.Cl.Cc1cc(O)cc(C)c1CC(N)C(=O)NCCc1nc(O)c(CCNC(=O)C(N)Cc2c(C)cc(O)cc2C)nc1C Show InChI InChI=1S/C31H42N6O5.2ClH/c1-16-10-21(38)11-17(2)23(16)14-25(32)29(40)34-8-6-27-20(5)36-28(31(42)37-27)7-9-35-30(41)26(33)15-24-18(3)12-22(39)13-19(24)4;;/h10-13,25-26,38-39H,6-9,14-15,32-33H2,1-5H3,(H,34,40)(H,35,41)(H,37,42);2*1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for opioid receptor delta 1 agonism or antagonism in mouse vas deferens				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50221780 (CHEMBL3217089) Show SMILES Cl.Cl.Cc1cc(O)cc(C)c1CC(N)C(=O)NCc1nc(O)c(CNC(=O)C(N)Cc2c(C)cc(O)cc2C)nc1C Show InChI InChI=1S/C29H38N6O5.2ClH/c1-14-6-19(36)7-15(2)21(14)10-23(30)27(38)32-12-25-18(5)34-26(29(40)35-25)13-33-28(39)24(31)11-22-16(3)8-20(37)9-17(22)4;;/h6-9,23-24,36-37H,10-13,30-31H2,1-5H3,(H,32,38)(H,33,39)(H,35,40);2*1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for Opioid receptor mu 1 agonism in isolated tissues from guinea pig ileum				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair