BDBM208983 US9233167, a-6-mPEG2-O-Morphine

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

InChI Key: InChIKey=HNFMRKGGZDJFSW-KBAKZFMASA-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 = 208983   

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))	BDBM208983 (US9233167, a-6-mPEG2-O-Morphine) Show SMILES COCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:20:28:11:26.24.25,16:15:11:26.24.25| Show InChI InChI=1S/C22H31NO6/c1-23-8-7-21-18-14-3-4-15(24)19(18)29-20(21)16(28-12-11-27-10-9-26-2)5-6-22(21,25)17(23)13-14/h3-4,16-17,20,24-25H,5-13H2,1-2H3/t16-,17?,20-,21-,22+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	22.0	-10.4	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))	BDBM208983 (US9233167, a-6-mPEG2-O-Morphine) Show SMILES COCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:20:28:11:26.24.25,16:15:11:26.24.25| Show InChI InChI=1S/C22H31NO6/c1-23-8-7-21-18-14-3-4-15(24)19(18)29-20(21)16(28-12-11-27-10-9-26-2)5-6-22(21,25)17(23)13-14/h3-4,16-17,20,24-25H,5-13H2,1-2H3/t16-,17?,20-,21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	404	-8.72	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))	BDBM208983 (US9233167, a-6-mPEG2-O-Morphine) Show SMILES COCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:20:28:11:26.24.25,16:15:11:26.24.25| Show InChI InChI=1S/C22H31NO6/c1-23-8-7-21-18-14-3-4-15(24)19(18)29-20(21)16(28-12-11-27-10-9-26-2)5-6-22(21,25)17(23)13-14/h3-4,16-17,20,24-25H,5-13H2,1-2H3/t16-,17?,20-,21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.60E+3	-7.61	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))	BDBM208983 (US9233167, a-6-mPEG2-O-Morphine) Show SMILES COCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:20:28:11:26.24.25,16:15:11:26.24.25| Show InChI InChI=1S/C22H31NO6/c1-23-8-7-21-18-14-3-4-15(24)19(18)29-20(21)16(28-12-11-27-10-9-26-2)5-6-22(21,25)17(23)13-14/h3-4,16-17,20,24-25H,5-13H2,1-2H3/t16-,17?,20-,21-,22+/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	93.3	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))	BDBM208983 (US9233167, a-6-mPEG2-O-Morphine) Show SMILES COCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:20:28:11:26.24.25,16:15:11:26.24.25| Show InChI InChI=1S/C22H31NO6/c1-23-8-7-21-18-14-3-4-15(24)19(18)29-20(21)16(28-12-11-27-10-9-26-2)5-6-22(21,25)17(23)13-14/h3-4,16-17,20,24-25H,5-13H2,1-2H3/t16-,17?,20-,21-,22+/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	641	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