BDBM208979 US9233167, 6-O-mPEG9-Nalbuphine

SMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45

InChI Key: InChIKey=DMDLGMXGEPZDFS-CJJYLFDQSA-N

Data: 3 KI  2 IC50  1 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 6 hits for monomerid = 208979   

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))	BDBM208979 (US9233167, 6-O-mPEG9-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:31:32:35.36.53:47.45.46,THB:33:32:35.36.53:47.45.46| Show InChI InChI=1S/C40H65NO13/c1-44-11-12-45-13-14-46-15-16-47-17-18-48-19-20-49-21-22-50-23-24-51-25-26-52-27-28-53-34-7-8-40(43)35-29-32-5-6-33(42)37-36(32)39(40,38(34)54-37)9-10-41(35)30-31-3-2-4-31/h5-6,31,34-35,38,42-43H,2-4,7-30H2,1H3/t34-,35+,38?,39-,40+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description Specific binding is determined by subtraction of the cpm bound in the presence of 50-100× excess of cold ligand. Binding data assays were analyzed us...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM208979 (US9233167, 6-O-mPEG9-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:31:32:35.36.53:47.45.46,THB:33:32:35.36.53:47.45.46| Show InChI InChI=1S/C40H65NO13/c1-44-11-12-45-13-14-46-15-16-47-17-18-48-19-20-49-21-22-50-23-24-51-25-26-52-27-28-53-34-7-8-40(43)35-29-32-5-6-33(42)37-36(32)39(40,38(34)54-37)9-10-41(35)30-31-3-2-4-31/h5-6,31,34-35,38,42-43H,2-4,7-30H2,1H3/t34-,35+,38?,39-,40+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description Specific binding is determined by subtraction of the cpm bound in the presence of 50-100× excess of cold ligand. Binding data assays were analyzed us...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM208979 (US9233167, 6-O-mPEG9-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:31:32:35.36.53:47.45.46,THB:33:32:35.36.53:47.45.46| Show InChI InChI=1S/C40H65NO13/c1-44-11-12-45-13-14-46-15-16-47-17-18-48-19-20-49-21-22-50-23-24-51-25-26-52-27-28-53-34-7-8-40(43)35-29-32-5-6-33(42)37-36(32)39(40,38(34)54-37)9-10-41(35)30-31-3-2-4-31/h5-6,31,34-35,38,42-43H,2-4,7-30H2,1H3/t34-,35+,38?,39-,40+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	186	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description Specific binding is determined by subtraction of the cpm bound in the presence of 50-100× excess of cold ligand. Binding data assays were analyzed us...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM208979 (US9233167, 6-O-mPEG9-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:31:32:35.36.53:47.45.46,THB:33:32:35.36.53:47.45.46| Show InChI InChI=1S/C40H65NO13/c1-44-11-12-45-13-14-46-15-16-47-17-18-48-19-20-49-21-22-50-23-24-51-25-26-52-27-28-53-34-7-8-40(43)35-29-32-5-6-33(42)37-36(32)39(40,38(34)54-37)9-10-41(35)30-31-3-2-4-31/h5-6,31,34-35,38,42-43H,2-4,7-30H2,1H3/t34-,35+,38?,39-,40+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	7.4	30
Nektar Therapeutics US Patent					Assay Description Test compound and/or vehicle was preincubated with the cell membranes and 3 uM GDP in modified HEPES buffer (pH 7.4) for 20 minutes, followed by addi...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM208979 (US9233167, 6-O-mPEG9-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:31:32:35.36.53:47.45.46,THB:33:32:35.36.53:47.45.46| Show InChI InChI=1S/C40H65NO13/c1-44-11-12-45-13-14-46-15-16-47-17-18-48-19-20-49-21-22-50-23-24-51-25-26-52-27-28-53-34-7-8-40(43)35-29-32-5-6-33(42)37-36(32)39(40,38(34)54-37)9-10-41(35)30-31-3-2-4-31/h5-6,31,34-35,38,42-43H,2-4,7-30H2,1H3/t34-,35+,38?,39-,40+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	485	n/a	n/a	7.4	30
Nektar Therapeutics US Patent					Assay Description Test compound and/or vehicle was preincubated with the cell membranes and 3 uM GDP in modified HEPES buffer (pH 7.4) for 20 minutes, followed by addi...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM208979 (US9233167, 6-O-mPEG9-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:31:32:35.36.53:47.45.46,THB:33:32:35.36.53:47.45.46| Show InChI InChI=1S/C40H65NO13/c1-44-11-12-45-13-14-46-15-16-47-17-18-48-19-20-49-21-22-50-23-24-51-25-26-52-27-28-53-34-7-8-40(43)35-29-32-5-6-33(42)37-36(32)39(40,38(34)54-37)9-10-41(35)30-31-3-2-4-31/h5-6,31,34-35,38,42-43H,2-4,7-30H2,1H3/t34-,35+,38?,39-,40+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.97E+3	n/a	n/a	n/a	n/a	7.4	30
Nektar Therapeutics US Patent					Assay Description Test compound and/or vehicle was preincubated with the cell membranes and 3 uM GDP in modified HEPES buffer (pH 7.4) for 20 minutes, followed by addi...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair