BDBM208984 US9233167, a-6-mPEG3-O-Morphine

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

InChI Key: InChIKey=ONUDGLVFWSENGG-FVDYRSBZSA-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 = 208984   

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))	BDBM208984 (US9233167, a-6-mPEG3-O-Morphine) Show SMILES COCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:23:31:14:29.27.28,19:18:14:29.27.28| Show InChI InChI=1S/C24H35NO7/c1-25-8-7-23-20-16-3-4-17(26)21(20)32-22(23)18(5-6-24(23,27)19(25)15-16)31-14-13-30-12-11-29-10-9-28-2/h3-4,18-19,22,26-27H,5-15H2,1-2H3/t18-,19?,22-,23-,24+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50.7	-9.95	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))	BDBM208984 (US9233167, a-6-mPEG3-O-Morphine) Show SMILES COCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:23:31:14:29.27.28,19:18:14:29.27.28| Show InChI InChI=1S/C24H35NO7/c1-25-8-7-23-20-16-3-4-17(26)21(20)32-22(23)18(5-6-24(23,27)19(25)15-16)31-14-13-30-12-11-29-10-9-28-2/h3-4,18-19,22,26-27H,5-15H2,1-2H3/t18-,19?,22-,23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	576	-8.51	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))	BDBM208984 (US9233167, a-6-mPEG3-O-Morphine) Show SMILES COCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:23:31:14:29.27.28,19:18:14:29.27.28| Show InChI InChI=1S/C24H35NO7/c1-25-8-7-23-20-16-3-4-17(26)21(20)32-22(23)18(5-6-24(23,27)19(25)15-16)31-14-13-30-12-11-29-10-9-28-2/h3-4,18-19,22,26-27H,5-15H2,1-2H3/t18-,19?,22-,23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.18E+3	-7.10	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))	BDBM208984 (US9233167, a-6-mPEG3-O-Morphine) Show SMILES COCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:23:31:14:29.27.28,19:18:14:29.27.28| Show InChI InChI=1S/C24H35NO7/c1-25-8-7-23-20-16-3-4-17(26)21(20)32-22(23)18(5-6-24(23,27)19(25)15-16)31-14-13-30-12-11-29-10-9-28-2/h3-4,18-19,22,26-27H,5-15H2,1-2H3/t18-,19?,22-,23-,24+/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	270	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))	BDBM208984 (US9233167, a-6-mPEG3-O-Morphine) Show SMILES COCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:23:31:14:29.27.28,19:18:14:29.27.28| Show InChI InChI=1S/C24H35NO7/c1-25-8-7-23-20-16-3-4-17(26)21(20)32-22(23)18(5-6-24(23,27)19(25)15-16)31-14-13-30-12-11-29-10-9-28-2/h3-4,18-19,22,26-27H,5-15H2,1-2H3/t18-,19?,22-,23-,24+/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	4.20E+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