null

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

InChI Key: InChIKey=JUPMXSDBQVBJEA-FTUAYMQQSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 425896   

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))	BDBM425896 (US10512644, Compound alpha-6-mPEG2-O-Morphine) Show SMILES COCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:9,TLB:19:27:11:25.23.24,15:14:11:25.23.24| Show InChI InChI=1S/C22H29NO5/c1-23-8-7-22-15-4-6-18(27-12-11-26-10-9-25-2)21(22)28-20-17(24)5-3-14(19(20)22)13-16(15)23/h3-6,15-16,18,21,24H,7-13H2,1-2H3/t15?,16?,18-,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	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))	BDBM425896 (US10512644, Compound alpha-6-mPEG2-O-Morphine) Show SMILES COCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:9,TLB:19:27:11:25.23.24,15:14:11:25.23.24| Show InChI InChI=1S/C22H29NO5/c1-23-8-7-22-15-4-6-18(27-12-11-26-10-9-25-2)21(22)28-20-17(24)5-3-14(19(20)22)13-16(15)23/h3-6,15-16,18,21,24H,7-13H2,1-2H3/t15?,16?,18-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	404	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))	BDBM425896 (US10512644, Compound alpha-6-mPEG2-O-Morphine) Show SMILES COCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:9,TLB:19:27:11:25.23.24,15:14:11:25.23.24| Show InChI InChI=1S/C22H29NO5/c1-23-8-7-22-15-4-6-18(27-12-11-26-10-9-25-2)21(22)28-20-17(24)5-3-14(19(20)22)13-16(15)23/h3-6,15-16,18,21,24H,7-13H2,1-2H3/t15?,16?,18-,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	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))	BDBM425896 (US10512644, Compound alpha-6-mPEG2-O-Morphine) Show SMILES COCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:9,TLB:19:27:11:25.23.24,15:14:11:25.23.24| Show InChI InChI=1S/C22H29NO5/c1-23-8-7-22-15-4-6-18(27-12-11-26-10-9-25-2)21(22)28-20-17(24)5-3-14(19(20)22)13-16(15)23/h3-6,15-16,18,21,24H,7-13H2,1-2H3/t15?,16?,18-,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	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))	BDBM425896 (US10512644, Compound alpha-6-mPEG2-O-Morphine) Show SMILES COCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:9,TLB:19:27:11:25.23.24,15:14:11:25.23.24| Show InChI InChI=1S/C22H29NO5/c1-23-8-7-22-15-4-6-18(27-12-11-26-10-9-25-2)21(22)28-20-17(24)5-3-14(19(20)22)13-16(15)23/h3-6,15-16,18,21,24H,7-13H2,1-2H3/t15?,16?,18-,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	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