BDBM208999 US9233167, a-6-mPEG2-O-Codeine

SMILES: COCCOCCO[C@H]1C=CC2C3Cc4ccc(OC)c5OC1[C@]2(CCN3C)c45

InChI Key: InChIKey=HMKPGTFNJXGKMA-XLPKQRTJSA-N

Data: 2 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 4 hits for monomerid = 208999   

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))	BDBM208999 (US9233167, a-6-mPEG2-O-Codeine) Show SMILES COCCOCCO[C@H]1C=CC2C3Cc4ccc(OC)c5OC1[C@]2(CCN3C)c45 |r,c:9,TLB:20:28:11:26.24.25,15:14:11:26.24.25| Show InChI InChI=1S/C23H31NO5/c1-24-9-8-23-16-5-7-19(28-13-12-27-11-10-25-2)22(23)29-21-18(26-3)6-4-15(20(21)23)14-17(16)24/h4-7,16-17,19,22H,8-14H2,1-3H3/t16?,17?,19-,22?,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.38E+3	-7.99	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))	BDBM208999 (US9233167, a-6-mPEG2-O-Codeine) Show SMILES COCCOCCO[C@H]1C=CC2C3Cc4ccc(OC)c5OC1[C@]2(CCN3C)c45 |r,c:9,TLB:20:28:11:26.24.25,15:14:11:26.24.25| Show InChI InChI=1S/C23H31NO5/c1-24-9-8-23-16-5-7-19(28-13-12-27-11-10-25-2)22(23)29-21-18(26-3)6-4-15(20(21)23)14-17(16)24/h4-7,16-17,19,22H,8-14H2,1-3H3/t16?,17?,19-,22?,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.26E+4	-6.33	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))	BDBM208999 (US9233167, a-6-mPEG2-O-Codeine) Show SMILES COCCOCCO[C@H]1C=CC2C3Cc4ccc(OC)c5OC1[C@]2(CCN3C)c45 |r,c:9,TLB:20:28:11:26.24.25,15:14:11:26.24.25| Show InChI InChI=1S/C23H31NO5/c1-24-9-8-23-16-5-7-19(28-13-12-27-11-10-25-2)22(23)29-21-18(26-3)6-4-15(20(21)23)14-17(16)24/h4-7,16-17,19,22H,8-14H2,1-3H3/t16?,17?,19-,22?,23-/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	5.15E+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))	BDBM208999 (US9233167, a-6-mPEG2-O-Codeine) Show SMILES COCCOCCO[C@H]1C=CC2C3Cc4ccc(OC)c5OC1[C@]2(CCN3C)c45 |r,c:9,TLB:20:28:11:26.24.25,15:14:11:26.24.25| Show InChI InChI=1S/C23H31NO5/c1-24-9-8-23-16-5-7-19(28-13-12-27-11-10-25-2)22(23)29-21-18(26-3)6-4-15(20(21)23)14-17(16)24/h4-7,16-17,19,22H,8-14H2,1-3H3/t16?,17?,19-,22?,23-/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	4.01E+4	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