Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50018332   

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))	BDBM50194487 (3-[4'-(H-Dmt)-aminobutyl]-6-[3'-(H-Dmt)-aminopropy...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(CCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)[nH]c1=O Show InChI InChI=1S/C34H48N6O5/c1-19-13-24(41)14-20(2)26(19)17-28(35)32(43)37-11-7-6-9-31-34(45)40-30(23(5)39-31)10-8-12-38-33(44)29(36)18-27-21(3)15-25(42)16-22(27)4/h13-16,28-29,41-42H,6-12,17-18,35-36H2,1-5H3,(H,37,43)(H,38,44)(H,40,45)/t28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat synaptosomes P2 fraction				Bioorg Med Chem Lett 16: 5793-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.079 BindingDB Entry DOI: 10.7270/Q26Q1WWH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50194488 (6-[4'-(H-Dmt)-aminobutyl]-3-[3'-(H-Dmt)-aminopropy...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1[nH]c(=O)c(CCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C Show InChI InChI=1S/C34H48N6O5/c1-19-13-24(41)14-20(2)26(19)17-28(35)32(43)37-11-7-6-9-30-23(5)39-31(34(45)40-30)10-8-12-38-33(44)29(36)18-27-21(3)15-25(42)16-22(27)4/h13-16,28-29,41-42H,6-12,17-18,35-36H2,1-5H3,(H,37,43)(H,38,44)(H,40,45)/t28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat synaptosomes P2 fraction				Bioorg Med Chem Lett 16: 5793-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.079 BindingDB Entry DOI: 10.7270/Q26Q1WWH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50194490 (3-[4'-(H-Tyr)-aminobutyl]-6-[3'-(H-Tyr)-amino-prop...) Show SMILES Cc1nc(CCCCNC(=O)[C@@H](N)Cc2ccc(O)cc2)c(=O)[nH]c1CCCNC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C30H40N6O5/c1-19-26(6-4-16-34-29(40)25(32)18-21-9-13-23(38)14-10-21)36-30(41)27(35-19)5-2-3-15-33-28(39)24(31)17-20-7-11-22(37)12-8-20/h7-14,24-25,37-38H,2-6,15-18,31-32H2,1H3,(H,33,39)(H,34,40)(H,36,41)/t24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat synaptosomes P2 fraction				Bioorg Med Chem Lett 16: 5793-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.079 BindingDB Entry DOI: 10.7270/Q26Q1WWH
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50194488 (6-[4'-(H-Dmt)-aminobutyl]-3-[3'-(H-Dmt)-aminopropy...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1[nH]c(=O)c(CCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C Show InChI InChI=1S/C34H48N6O5/c1-19-13-24(41)14-20(2)26(19)17-28(35)32(43)37-11-7-6-9-30-23(5)39-31(34(45)40-30)10-8-12-38-33(44)29(36)18-27-21(3)15-25(42)16-22(27)4/h13-16,28-29,41-42H,6-12,17-18,35-36H2,1-5H3,(H,37,43)(H,38,44)(H,40,45)/t28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin II from delta opioid receptor in rat synaptosomes P2 fraction				Bioorg Med Chem Lett 16: 5793-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.079 BindingDB Entry DOI: 10.7270/Q26Q1WWH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50194489 (6-[4'-(H-Tyr)-aminobutyl]-3-[3'-(H-tyr)-amino-prop...) Show SMILES Cc1nc(CCCNC(=O)[C@@H](N)Cc2ccc(O)cc2)c(=O)[nH]c1CCCCNC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C30H40N6O5/c1-19-26(5-2-3-15-33-28(39)24(31)17-20-7-11-22(37)12-8-20)36-30(41)27(35-19)6-4-16-34-29(40)25(32)18-21-9-13-23(38)14-10-21/h7-14,24-25,37-38H,2-6,15-18,31-32H2,1H3,(H,33,39)(H,34,40)(H,36,41)/t24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat synaptosomes P2 fraction				Bioorg Med Chem Lett 16: 5793-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.079 BindingDB Entry DOI: 10.7270/Q26Q1WWH
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50194487 (3-[4'-(H-Dmt)-aminobutyl]-6-[3'-(H-Dmt)-aminopropy...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(CCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)[nH]c1=O Show InChI InChI=1S/C34H48N6O5/c1-19-13-24(41)14-20(2)26(19)17-28(35)32(43)37-11-7-6-9-31-34(45)40-30(23(5)39-31)10-8-12-38-33(44)29(36)18-27-21(3)15-25(42)16-22(27)4/h13-16,28-29,41-42H,6-12,17-18,35-36H2,1-5H3,(H,37,43)(H,38,44)(H,40,45)/t28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin II from delta opioid receptor in rat synaptosomes P2 fraction				Bioorg Med Chem Lett 16: 5793-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.079 BindingDB Entry DOI: 10.7270/Q26Q1WWH
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50194490 (3-[4'-(H-Tyr)-aminobutyl]-6-[3'-(H-Tyr)-amino-prop...) Show SMILES Cc1nc(CCCCNC(=O)[C@@H](N)Cc2ccc(O)cc2)c(=O)[nH]c1CCCNC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C30H40N6O5/c1-19-26(6-4-16-34-29(40)25(32)18-21-9-13-23(38)14-10-21)36-30(41)27(35-19)5-2-3-15-33-28(39)24(31)17-20-7-11-22(37)12-8-20/h7-14,24-25,37-38H,2-6,15-18,31-32H2,1H3,(H,33,39)(H,34,40)(H,36,41)/t24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	924	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin II from delta opioid receptor in rat synaptosomes P2 fraction				Bioorg Med Chem Lett 16: 5793-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.079 BindingDB Entry DOI: 10.7270/Q26Q1WWH
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50194489 (6-[4'-(H-Tyr)-aminobutyl]-3-[3'-(H-tyr)-amino-prop...) Show SMILES Cc1nc(CCCNC(=O)[C@@H](N)Cc2ccc(O)cc2)c(=O)[nH]c1CCCCNC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C30H40N6O5/c1-19-26(5-2-3-15-33-28(39)24(31)17-20-7-11-22(37)12-8-20)36-30(41)27(35-19)6-4-16-34-29(40)25(32)18-21-9-13-23(38)14-10-21/h7-14,24-25,37-38H,2-6,15-18,31-32H2,1H3,(H,33,39)(H,34,40)(H,36,41)/t24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin II from delta opioid receptor in rat synaptosomes P2 fraction				Bioorg Med Chem Lett 16: 5793-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.079 BindingDB Entry DOI: 10.7270/Q26Q1WWH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50194487 (3-[4'-(H-Dmt)-aminobutyl]-6-[3'-(H-Dmt)-aminopropy...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(CCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)[nH]c1=O Show InChI InChI=1S/C34H48N6O5/c1-19-13-24(41)14-20(2)26(19)17-28(35)32(43)37-11-7-6-9-31-34(45)40-30(23(5)39-31)10-8-12-38-33(44)29(36)18-27-21(3)15-25(42)16-22(27)4/h13-16,28-29,41-42H,6-12,17-18,35-36H2,1-5H3,(H,37,43)(H,38,44)(H,40,45)/t28-,29-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.79	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Activity at mu opioid receptor by guinea pig ileum assay				Bioorg Med Chem Lett 16: 5793-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.079 BindingDB Entry DOI: 10.7270/Q26Q1WWH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50194488 (6-[4'-(H-Dmt)-aminobutyl]-3-[3'-(H-Dmt)-aminopropy...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1[nH]c(=O)c(CCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C Show InChI InChI=1S/C34H48N6O5/c1-19-13-24(41)14-20(2)26(19)17-28(35)32(43)37-11-7-6-9-30-23(5)39-31(34(45)40-30)10-8-12-38-33(44)29(36)18-27-21(3)15-25(42)16-22(27)4/h13-16,28-29,41-42H,6-12,17-18,35-36H2,1-5H3,(H,37,43)(H,38,44)(H,40,45)/t28-,29-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.93	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Activity at mu opioid receptor by guinea pig ileum assay				Bioorg Med Chem Lett 16: 5793-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.079 BindingDB Entry DOI: 10.7270/Q26Q1WWH
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50194487 (3-[4'-(H-Dmt)-aminobutyl]-6-[3'-(H-Dmt)-aminopropy...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(CCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)[nH]c1=O Show InChI InChI=1S/C34H48N6O5/c1-19-13-24(41)14-20(2)26(19)17-28(35)32(43)37-11-7-6-9-31-34(45)40-30(23(5)39-31)10-8-12-38-33(44)29(36)18-27-21(3)15-25(42)16-22(27)4/h13-16,28-29,41-42H,6-12,17-18,35-36H2,1-5H3,(H,37,43)(H,38,44)(H,40,45)/t28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25.8	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Activity at delta opioid receptor assessed as inhibition of muscle contraction in mouse vas deferens assay				Bioorg Med Chem Lett 16: 5793-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.079 BindingDB Entry DOI: 10.7270/Q26Q1WWH
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50194488 (6-[4'-(H-Dmt)-aminobutyl]-3-[3'-(H-Dmt)-aminopropy...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1[nH]c(=O)c(CCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C Show InChI InChI=1S/C34H48N6O5/c1-19-13-24(41)14-20(2)26(19)17-28(35)32(43)37-11-7-6-9-30-23(5)39-31(34(45)40-30)10-8-12-38-33(44)29(36)18-27-21(3)15-25(42)16-22(27)4/h13-16,28-29,41-42H,6-12,17-18,35-36H2,1-5H3,(H,37,43)(H,38,44)(H,40,45)/t28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Activity at delta opioid receptor assessed as inhibition of muscle contraction in mouse vas deferens assay				Bioorg Med Chem Lett 16: 5793-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.079 BindingDB Entry DOI: 10.7270/Q26Q1WWH
					More data for this Ligand-Target Pair