BDBM208989 US9233167, a-6-mPEG9-O-Morphine

SMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45

InChI Key: InChIKey=KRDZWSNJWKZJMK-WFNHTRGDSA-N

Data: 3 KI  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 5 hits for monomerid = 208989   

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))	BDBM208989 (US9233167, a-6-mPEG9-O-Morphine) Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:41:49:32:47.45.46,37:36:32:47.45.46| Show InChI InChI=1S/C36H59NO13/c1-37-8-7-35-32-28-3-4-29(38)33(32)50-34(35)30(5-6-36(35,39)31(37)27-28)49-26-25-48-24-23-47-22-21-46-20-19-45-18-17-44-16-15-43-14-13-42-12-11-41-10-9-40-2/h3-4,30-31,34,38-39H,5-27H2,1-2H3/t30-,31?,34-,35-,36+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	111	-9.48	n/a	n/a	n/a	n/a	n/a	n/a	25
Nektar Therapeutics US Patent					Assay Description Briefly, serial dilutions of the test compounds were placed in a 96-well plate to which were added SPA beads, membrane and radioligand. The assay con...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM208989 (US9233167, a-6-mPEG9-O-Morphine) Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:41:49:32:47.45.46,37:36:32:47.45.46| Show InChI InChI=1S/C36H59NO13/c1-37-8-7-35-32-28-3-4-29(38)33(32)50-34(35)30(5-6-36(35,39)31(37)27-28)49-26-25-48-24-23-47-22-21-46-20-19-45-18-17-44-16-15-43-14-13-42-12-11-41-10-9-40-2/h3-4,30-31,34,38-39H,5-27H2,1-2H3/t30-,31?,34-,35-,36+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.25E+3	-8.05	n/a	n/a	n/a	n/a	n/a	n/a	25
Nektar Therapeutics US Patent					Assay Description Briefly, serial dilutions of the test compounds were placed in a 96-well plate to which were added SPA beads, membrane and radioligand. The assay con...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM208989 (US9233167, a-6-mPEG9-O-Morphine) Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:41:49:32:47.45.46,37:36:32:47.45.46| Show InChI InChI=1S/C36H59NO13/c1-37-8-7-35-32-28-3-4-29(38)33(32)50-34(35)30(5-6-36(35,39)31(37)27-28)49-26-25-48-24-23-47-22-21-46-20-19-45-18-17-44-16-15-43-14-13-42-12-11-41-10-9-40-2/h3-4,30-31,34,38-39H,5-27H2,1-2H3/t30-,31?,34-,35-,36+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.78E+3	-7.14	n/a	n/a	n/a	n/a	n/a	n/a	25
Nektar Therapeutics US Patent					Assay Description Briefly, serial dilutions of the test compounds were placed in a 96-well plate to which were added SPA beads, membrane and radioligand. The assay con...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM208989 (US9233167, a-6-mPEG9-O-Morphine) Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:41:49:32:47.45.46,37:36:32:47.45.46| Show InChI InChI=1S/C36H59NO13/c1-37-8-7-35-32-28-3-4-29(38)33(32)50-34(35)30(5-6-36(35,39)31(37)27-28)49-26-25-48-24-23-47-22-21-46-20-19-45-18-17-44-16-15-43-14-13-42-12-11-41-10-9-40-2/h3-4,30-31,34,38-39H,5-27H2,1-2H3/t30-,31?,34-,35-,36+/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	n/a	n/a	1.06E+3	n/a	n/a	n/a	25
Nektar Therapeutics US Patent					Assay Description Briefly, suspensions of cells expressing either the mu, kappa or delta opioid receptors were prepared in buffer containing 0.5 mM isobutyl-methyl xan...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM208989 (US9233167, a-6-mPEG9-O-Morphine) Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:41:49:32:47.45.46,37:36:32:47.45.46| Show InChI InChI=1S/C36H59NO13/c1-37-8-7-35-32-28-3-4-29(38)33(32)50-34(35)30(5-6-36(35,39)31(37)27-28)49-26-25-48-24-23-47-22-21-46-20-19-45-18-17-44-16-15-43-14-13-42-12-11-41-10-9-40-2/h3-4,30-31,34,38-39H,5-27H2,1-2H3/t30-,31?,34-,35-,36+/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	4.42E+3	n/a	n/a	n/a	25
Nektar Therapeutics US Patent					Assay Description Briefly, suspensions of cells expressing either the mu, kappa or delta opioid receptors were prepared in buffer containing 0.5 mM isobutyl-methyl xan...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair