null

SMILES: CC(C)(CCCCCCC(C)(C)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1

InChI Key: InChIKey=JGPNWSPULVHCLC-OCFNPWKVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50300378   

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))	BDBM50300378 (Bis((-)-N-cyclobutylmethylmorphinan-3-yl)2,2,9,9-T...) Show SMILES CC(C)(CCCCCCC(C)(C)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r| Show InChI InChI=1S/C56H80N2O4/c1-53(2,51(59)61-43-23-21-41-33-49-45-19-7-11-27-55(45,47(41)35-43)29-31-57(49)37-39-15-13-16-39)25-9-5-6-10-26-54(3,4)52(60)62-44-24-22-42-34-50-46-20-8-12-28-56(46,48(42)36-44)30-32-58(50)38-40-17-14-18-40/h21-24,35-36,39-40,45-46,49-50H,5-20,25-34,37-38H2,1-4H3/t45-,46-,49+,50+,55+,56+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.470	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]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by liquid scintillation counting				J Med Chem 52: 7389-96 (2009) Article DOI: 10.1021/jm900379p BindingDB Entry DOI: 10.7270/Q29P31Q8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50300378 (Bis((-)-N-cyclobutylmethylmorphinan-3-yl)2,2,9,9-T...) Show SMILES CC(C)(CCCCCCC(C)(C)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r| Show InChI InChI=1S/C56H80N2O4/c1-53(2,51(59)61-43-23-21-41-33-49-45-19-7-11-27-55(45,47(41)35-43)29-31-57(49)37-39-15-13-16-39)25-9-5-6-10-26-54(3,4)52(60)62-44-24-22-42-34-50-46-20-8-12-28-56(46,48(42)36-44)30-32-58(50)38-40-17-14-18-40/h21-24,35-36,39-40,45-46,49-50H,5-20,25-34,37-38H2,1-4H3/t45-,46-,49+,50+,55+,56+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.470	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 liquid scintillation counting				J Med Chem 52: 7389-96 (2009) Article DOI: 10.1021/jm900379p BindingDB Entry DOI: 10.7270/Q29P31Q8
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50300378 (Bis((-)-N-cyclobutylmethylmorphinan-3-yl)2,2,9,9-T...) Show SMILES CC(C)(CCCCCCC(C)(C)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r| Show InChI InChI=1S/C56H80N2O4/c1-53(2,51(59)61-43-23-21-41-33-49-45-19-7-11-27-55(45,47(41)35-43)29-31-57(49)37-39-15-13-16-39)25-9-5-6-10-26-54(3,4)52(60)62-44-24-22-42-34-50-46-20-8-12-28-56(46,48(42)36-44)30-32-58(50)38-40-17-14-18-40/h21-24,35-36,39-40,45-46,49-50H,5-20,25-34,37-38H2,1-4H3/t45-,46-,49+,50+,55+,56+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	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 liquid scintillation counting				J Med Chem 52: 7389-96 (2009) Article DOI: 10.1021/jm900379p BindingDB Entry DOI: 10.7270/Q29P31Q8
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50300378 (Bis((-)-N-cyclobutylmethylmorphinan-3-yl)2,2,9,9-T...) Show SMILES CC(C)(CCCCCCC(C)(C)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r| Show InChI InChI=1S/C56H80N2O4/c1-53(2,51(59)61-43-23-21-41-33-49-45-19-7-11-27-55(45,47(41)35-43)29-31-57(49)37-39-15-13-16-39)25-9-5-6-10-26-54(3,4)52(60)62-44-24-22-42-34-50-46-20-8-12-28-56(46,48(42)36-44)30-32-58(50)38-40-17-14-18-40/h21-24,35-36,39-40,45-46,49-50H,5-20,25-34,37-38H2,1-4H3/t45-,46-,49+,50+,55+,56+/m0/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	6.40	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				J Med Chem 52: 7389-96 (2009) Article DOI: 10.1021/jm900379p BindingDB Entry DOI: 10.7270/Q29P31Q8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50300378 (Bis((-)-N-cyclobutylmethylmorphinan-3-yl)2,2,9,9-T...) Show SMILES CC(C)(CCCCCCC(C)(C)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r| Show InChI InChI=1S/C56H80N2O4/c1-53(2,51(59)61-43-23-21-41-33-49-45-19-7-11-27-55(45,47(41)35-43)29-31-57(49)37-39-15-13-16-39)25-9-5-6-10-26-54(3,4)52(60)62-44-24-22-42-34-50-46-20-8-12-28-56(46,48(42)36-44)30-32-58(50)38-40-17-14-18-40/h21-24,35-36,39-40,45-46,49-50H,5-20,25-34,37-38H2,1-4H3/t45-,46-,49+,50+,55+,56+/m0/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	81	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-stimulated [35S]GTPgammaS binding				J Med Chem 52: 7389-96 (2009) Article DOI: 10.1021/jm900379p BindingDB Entry DOI: 10.7270/Q29P31Q8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50300378 (Bis((-)-N-cyclobutylmethylmorphinan-3-yl)2,2,9,9-T...) Show SMILES CC(C)(CCCCCCC(C)(C)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r| Show InChI InChI=1S/C56H80N2O4/c1-53(2,51(59)61-43-23-21-41-33-49-45-19-7-11-27-55(45,47(41)35-43)29-31-57(49)37-39-15-13-16-39)25-9-5-6-10-26-54(3,4)52(60)62-44-24-22-42-34-50-46-20-8-12-28-56(46,48(42)36-44)30-32-58(50)38-40-17-14-18-40/h21-24,35-36,39-40,45-46,49-50H,5-20,25-34,37-38H2,1-4H3/t45-,46-,49+,50+,55+,56+/m0/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	11	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				J Med Chem 52: 7389-96 (2009) Article DOI: 10.1021/jm900379p BindingDB Entry DOI: 10.7270/Q29P31Q8
					More data for this Ligand-Target Pair