null

SMILES: O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC=C)CC[C@@]235)ccc4OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1

InChI Key: InChIKey=ZBRHLKCYFJFMJO-XYIWGVFMSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50343624   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50343624 (5alpha-17-Allyl-14-hydroxy-6-oxo-4,5-epoxymorphina...) Show SMILES O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC=C)CC[C@@]235)ccc4OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r| Show InChI InChI=1S/C50H64N2O8/c1-2-26-51-28-25-48-44-35-17-19-39(45(44)60-46(48)38(53)20-23-50(48,57)41(51)30-35)59-43(55)15-8-6-4-3-5-7-14-42(54)58-36-18-16-34-29-40-49(56)22-10-9-21-47(49,37(34)31-36)24-27-52(40)32-33-12-11-13-33/h2,16-19,31,33,40-41,46,56-57H,1,3-15,20-30,32H2/t40-,41-,46+,47+,48+,49-,50-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]U69563 from human kappa-opioid receptor expressed in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem 19: 2808-16 (2011) Article DOI: 10.1016/j.bmc.2011.03.052 BindingDB Entry DOI: 10.7270/Q2KW5GB1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50343624 (5alpha-17-Allyl-14-hydroxy-6-oxo-4,5-epoxymorphina...) Show SMILES O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC=C)CC[C@@]235)ccc4OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r| Show InChI InChI=1S/C50H64N2O8/c1-2-26-51-28-25-48-44-35-17-19-39(45(44)60-46(48)38(53)20-23-50(48,57)41(51)30-35)59-43(55)15-8-6-4-3-5-7-14-42(54)58-36-18-16-34-29-40-49(56)22-10-9-21-47(49,37(34)31-36)24-27-52(40)32-33-12-11-13-33/h2,16-19,31,33,40-41,46,56-57H,1,3-15,20-30,32H2/t40-,41-,46+,47+,48+,49-,50-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu-opioid receptor expressed in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem 19: 2808-16 (2011) Article DOI: 10.1016/j.bmc.2011.03.052 BindingDB Entry DOI: 10.7270/Q2KW5GB1
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50343624 (5alpha-17-Allyl-14-hydroxy-6-oxo-4,5-epoxymorphina...) Show SMILES O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC=C)CC[C@@]235)ccc4OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r| Show InChI InChI=1S/C50H64N2O8/c1-2-26-51-28-25-48-44-35-17-19-39(45(44)60-46(48)38(53)20-23-50(48,57)41(51)30-35)59-43(55)15-8-6-4-3-5-7-14-42(54)58-36-18-16-34-29-40-49(56)22-10-9-21-47(49,37(34)31-36)24-27-52(40)32-33-12-11-13-33/h2,16-19,31,33,40-41,46,56-57H,1,3-15,20-30,32H2/t40-,41-,46+,47+,48+,49-,50-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from human delta-opioid receptor expressed in CHO cells after 3 hrs by scintillation counting				Bioorg Med Chem 19: 2808-16 (2011) Article DOI: 10.1016/j.bmc.2011.03.052 BindingDB Entry DOI: 10.7270/Q2KW5GB1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50343624 (5alpha-17-Allyl-14-hydroxy-6-oxo-4,5-epoxymorphina...) Show SMILES O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC=C)CC[C@@]235)ccc4OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r| Show InChI InChI=1S/C50H64N2O8/c1-2-26-51-28-25-48-44-35-17-19-39(45(44)60-46(48)38(53)20-23-50(48,57)41(51)30-35)59-43(55)15-8-6-4-3-5-7-14-42(54)58-36-18-16-34-29-40-49(56)22-10-9-21-47(49,37(34)31-36)24-27-52(40)32-33-12-11-13-33/h2,16-19,31,33,40-41,46,56-57H,1,3-15,20-30,32H2/t40-,41-,46+,47+,48+,49-,50-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at human mu-opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillation ...				Bioorg Med Chem 19: 2808-16 (2011) Article DOI: 10.1016/j.bmc.2011.03.052 BindingDB Entry DOI: 10.7270/Q2KW5GB1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50343624 (5alpha-17-Allyl-14-hydroxy-6-oxo-4,5-epoxymorphina...) Show SMILES O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC=C)CC[C@@]235)ccc4OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r| Show InChI InChI=1S/C50H64N2O8/c1-2-26-51-28-25-48-44-35-17-19-39(45(44)60-46(48)38(53)20-23-50(48,57)41(51)30-35)59-43(55)15-8-6-4-3-5-7-14-42(54)58-36-18-16-34-29-40-49(56)22-10-9-21-47(49,37(34)31-36)24-27-52(40)32-33-12-11-13-33/h2,16-19,31,33,40-41,46,56-57H,1,3-15,20-30,32H2/t40-,41-,46+,47+,48+,49-,50-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Antagonist activity at human mu-opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins b...				Bioorg Med Chem 19: 2808-16 (2011) Article DOI: 10.1016/j.bmc.2011.03.052 BindingDB Entry DOI: 10.7270/Q2KW5GB1
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50343624 (5alpha-17-Allyl-14-hydroxy-6-oxo-4,5-epoxymorphina...) Show SMILES O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC=C)CC[C@@]235)ccc4OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r| Show InChI InChI=1S/C50H64N2O8/c1-2-26-51-28-25-48-44-35-17-19-39(45(44)60-46(48)38(53)20-23-50(48,57)41(51)30-35)59-43(55)15-8-6-4-3-5-7-14-42(54)58-36-18-16-34-29-40-49(56)22-10-9-21-47(49,37(34)31-36)24-27-52(40)32-33-12-11-13-33/h2,16-19,31,33,40-41,46,56-57H,1,3-15,20-30,32H2/t40-,41-,46+,47+,48+,49-,50-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at human kappa-opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillati...				Bioorg Med Chem 19: 2808-16 (2011) Article DOI: 10.1016/j.bmc.2011.03.052 BindingDB Entry DOI: 10.7270/Q2KW5GB1
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50343624 (5alpha-17-Allyl-14-hydroxy-6-oxo-4,5-epoxymorphina...) Show SMILES O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC=C)CC[C@@]235)ccc4OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r| Show InChI InChI=1S/C50H64N2O8/c1-2-26-51-28-25-48-44-35-17-19-39(45(44)60-46(48)38(53)20-23-50(48,57)41(51)30-35)59-43(55)15-8-6-4-3-5-7-14-42(54)58-36-18-16-34-29-40-49(56)22-10-9-21-47(49,37(34)31-36)24-27-52(40)32-33-12-11-13-33/h2,16-19,31,33,40-41,46,56-57H,1,3-15,20-30,32H2/t40-,41-,46+,47+,48+,49-,50-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Antagonist activity at human kappa-opioid receptor expressed in CHO cells assessed as inhibition of U69593-induced [35S]GTPgammaS binding after 60 mi...				Bioorg Med Chem 19: 2808-16 (2011) Article DOI: 10.1016/j.bmc.2011.03.052 BindingDB Entry DOI: 10.7270/Q2KW5GB1
					More data for this Ligand-Target Pair