null

SMILES: COCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45

InChI Key: InChIKey=YREFQTRFUWTNKI-GTSFWFRGSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 425899   

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))	BDBM425899 (US10512644, Compound alpha-6-mPEG5-O-Morphine) Show SMILES COCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:18,TLB:28:36:20:34.32.33,24:23:20:34.32.33| Show InChI InChI=1S/C28H41NO8/c1-29-8-7-28-21-4-6-24(27(28)37-26-23(30)5-3-20(25(26)28)19-22(21)29)36-18-17-35-16-15-34-14-13-33-12-11-32-10-9-31-2/h3-6,21-22,24,27,30H,7-19H2,1-2H3/t21?,22?,24-,27-,28-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	39.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. 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 US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM425899 (US10512644, Compound alpha-6-mPEG5-O-Morphine) Show SMILES COCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:18,TLB:28:36:20:34.32.33,24:23:20:34.32.33| Show InChI InChI=1S/C28H41NO8/c1-29-8-7-28-21-4-6-24(27(28)37-26-23(30)5-3-20(25(26)28)19-22(21)29)36-18-17-35-16-15-34-14-13-33-12-11-32-10-9-31-2/h3-6,21-22,24,27,30H,7-19H2,1-2H3/t21?,22?,24-,27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	558	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. 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 US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM425899 (US10512644, Compound alpha-6-mPEG5-O-Morphine) Show SMILES COCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:18,TLB:28:36:20:34.32.33,24:23:20:34.32.33| Show InChI InChI=1S/C28H41NO8/c1-29-8-7-28-21-4-6-24(27(28)37-26-23(30)5-3-20(25(26)28)19-22(21)29)36-18-17-35-16-15-34-14-13-33-12-11-32-10-9-31-2/h3-6,21-22,24,27,30H,7-19H2,1-2H3/t21?,22?,24-,27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. 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 US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM425899 (US10512644, Compound alpha-6-mPEG5-O-Morphine) Show SMILES COCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:18,TLB:28:36:20:34.32.33,24:23:20:34.32.33| Show InChI InChI=1S/C28H41NO8/c1-29-8-7-28-21-4-6-24(27(28)37-26-23(30)5-3-20(25(26)28)19-22(21)29)36-18-17-35-16-15-34-14-13-33-12-11-32-10-9-31-2/h3-6,21-22,24,27,30H,7-19H2,1-2H3/t21?,22?,24-,27-,28-/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	157	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. 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 US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM425899 (US10512644, Compound alpha-6-mPEG5-O-Morphine) Show SMILES COCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:18,TLB:28:36:20:34.32.33,24:23:20:34.32.33| Show InChI InChI=1S/C28H41NO8/c1-29-8-7-28-21-4-6-24(27(28)37-26-23(30)5-3-20(25(26)28)19-22(21)29)36-18-17-35-16-15-34-14-13-33-12-11-32-10-9-31-2/h3-6,21-22,24,27,30H,7-19H2,1-2H3/t21?,22?,24-,27-,28-/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	2.30E+3	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. 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 US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair