BDBM50343628 Bis((-)-14-methoxy-17-N-cyclobutylmethyl)morphinan-3-yl-decanedioate::CHEMBL1774947

SMILES: CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@H]5N(CC6CCC6)CC[C@@]6(CCCC[C@@]56OC)c4c3)cc12

InChI Key: InChIKey=OHXOHFFJLNRYPZ-YWQRWGLESA-N

Data: 3 KI  2 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50343628   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50343628 (Bis((-)-14-methoxy-17-N-cyclobutylmethyl)morphinan...) Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@H]5N(CC6CCC6)CC[C@@]6(CCCC[C@@]56OC)c4c3)cc12 |r,TLB:11:10:18.61.17:2| Show InChI InChI=1S/C54H76N2O6/c1-59-53-27-11-9-25-51(53)29-31-55(37-39-15-13-16-39)47(53)33-41-21-23-43(35-45(41)51)61-49(57)19-7-5-3-4-6-8-20-50(58)62-44-24-22-42-34-48-54(60-2)28-12-10-26-52(54,46(42)36-44)30-32-56(48)38-40-17-14-18-40/h21-24,35-36,39-40,47-48H,3-20,25-34,37-38H2,1-2H3/t47-,48-,51+,52+,53-,54-/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	0.260	n/a	n/a	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))	BDBM50343628 (Bis((-)-14-methoxy-17-N-cyclobutylmethyl)morphinan...) Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@H]5N(CC6CCC6)CC[C@@]6(CCCC[C@@]56OC)c4c3)cc12 |r,TLB:11:10:18.61.17:2| Show InChI InChI=1S/C54H76N2O6/c1-59-53-27-11-9-25-51(53)29-31-55(37-39-15-13-16-39)47(53)33-41-21-23-43(35-45(41)51)61-49(57)19-7-5-3-4-6-8-20-50(58)62-44-24-22-42-34-48-54(60-2)28-12-10-26-52(54,46(42)36-44)30-32-56(48)38-40-17-14-18-40/h21-24,35-36,39-40,47-48H,3-20,25-34,37-38H2,1-2H3/t47-,48-,51+,52+,53-,54-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50343628 (Bis((-)-14-methoxy-17-N-cyclobutylmethyl)morphinan...) Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@H]5N(CC6CCC6)CC[C@@]6(CCCC[C@@]56OC)c4c3)cc12 |r,TLB:11:10:18.61.17:2| Show InChI InChI=1S/C54H76N2O6/c1-59-53-27-11-9-25-51(53)29-31-55(37-39-15-13-16-39)47(53)33-41-21-23-43(35-45(41)51)61-49(57)19-7-5-3-4-6-8-20-50(58)62-44-24-22-42-34-48-54(60-2)28-12-10-26-52(54,46(42)36-44)30-32-56(48)38-40-17-14-18-40/h21-24,35-36,39-40,47-48H,3-20,25-34,37-38H2,1-2H3/t47-,48-,51+,52+,53-,54-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
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))	BDBM50343628 (Bis((-)-14-methoxy-17-N-cyclobutylmethyl)morphinan...) Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@H]5N(CC6CCC6)CC[C@@]6(CCCC[C@@]56OC)c4c3)cc12 |r,TLB:11:10:18.61.17:2| Show InChI InChI=1S/C54H76N2O6/c1-59-53-27-11-9-25-51(53)29-31-55(37-39-15-13-16-39)47(53)33-41-21-23-43(35-45(41)51)61-49(57)19-7-5-3-4-6-8-20-50(58)62-44-24-22-42-34-48-54(60-2)28-12-10-26-52(54,46(42)36-44)30-32-56(48)38-40-17-14-18-40/h21-24,35-36,39-40,47-48H,3-20,25-34,37-38H2,1-2H3/t47-,48-,51+,52+,53-,54-/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	260	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50343628 (Bis((-)-14-methoxy-17-N-cyclobutylmethyl)morphinan...) Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@H]5N(CC6CCC6)CC[C@@]6(CCCC[C@@]56OC)c4c3)cc12 |r,TLB:11:10:18.61.17:2| Show InChI InChI=1S/C54H76N2O6/c1-59-53-27-11-9-25-51(53)29-31-55(37-39-15-13-16-39)47(53)33-41-21-23-43(35-45(41)51)61-49(57)19-7-5-3-4-6-8-20-50(58)62-44-24-22-42-34-48-54(60-2)28-12-10-26-52(54,46(42)36-44)30-32-56(48)38-40-17-14-18-40/h21-24,35-36,39-40,47-48H,3-20,25-34,37-38H2,1-2H3/t47-,48-,51+,52+,53-,54-/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	1.80	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50343628 (Bis((-)-14-methoxy-17-N-cyclobutylmethyl)morphinan...) Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@H]5N(CC6CCC6)CC[C@@]6(CCCC[C@@]56OC)c4c3)cc12 |r,TLB:11:10:18.61.17:2| Show InChI InChI=1S/C54H76N2O6/c1-59-53-27-11-9-25-51(53)29-31-55(37-39-15-13-16-39)47(53)33-41-21-23-43(35-45(41)51)61-49(57)19-7-5-3-4-6-8-20-50(58)62-44-24-22-42-34-48-54(60-2)28-12-10-26-52(54,46(42)36-44)30-32-56(48)38-40-17-14-18-40/h21-24,35-36,39-40,47-48H,3-20,25-34,37-38H2,1-2H3/t47-,48-,51+,52+,53-,54-/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	2.40	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 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))	BDBM50343628 (Bis((-)-14-methoxy-17-N-cyclobutylmethyl)morphinan...) Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@H]5N(CC6CCC6)CC[C@@]6(CCCC[C@@]56OC)c4c3)cc12 |r,TLB:11:10:18.61.17:2| Show InChI InChI=1S/C54H76N2O6/c1-59-53-27-11-9-25-51(53)29-31-55(37-39-15-13-16-39)47(53)33-41-21-23-43(35-45(41)51)61-49(57)19-7-5-3-4-6-8-20-50(58)62-44-24-22-42-34-48-54(60-2)28-12-10-26-52(54,46(42)36-44)30-32-56(48)38-40-17-14-18-40/h21-24,35-36,39-40,47-48H,3-20,25-34,37-38H2,1-2H3/t47-,48-,51+,52+,53-,54-/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	17	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