BDBM425897 US10512644, Compound alpha-6-mPEG3-O-Morphine

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

InChI Key: InChIKey=ATTKETJQMFMYKG-UIQNEJLLSA-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 = 425897   

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))	BDBM425897 (US10512644, Compound alpha-6-mPEG3-O-Morphine) Show SMILES COCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:12,TLB:22:30:14:28.26.27,18:17:14:28.26.27| Show InChI InChI=1S/C24H33NO6/c1-25-8-7-24-17-4-6-20(30-14-13-29-12-11-28-10-9-27-2)23(24)31-22-19(26)5-3-16(21(22)24)15-18(17)25/h3-6,17-18,20,23,26H,7-15H2,1-2H3/t17?,18?,20-,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	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))	BDBM425897 (US10512644, Compound alpha-6-mPEG3-O-Morphine) Show SMILES COCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:12,TLB:22:30:14:28.26.27,18:17:14:28.26.27| Show InChI InChI=1S/C24H33NO6/c1-25-8-7-24-17-4-6-20(30-14-13-29-12-11-28-10-9-27-2)23(24)31-22-19(26)5-3-16(21(22)24)15-18(17)25/h3-6,17-18,20,23,26H,7-15H2,1-2H3/t17?,18?,20-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	576	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))	BDBM425897 (US10512644, Compound alpha-6-mPEG3-O-Morphine) Show SMILES COCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:12,TLB:22:30:14:28.26.27,18:17:14:28.26.27| Show InChI InChI=1S/C24H33NO6/c1-25-8-7-24-17-4-6-20(30-14-13-29-12-11-28-10-9-27-2)23(24)31-22-19(26)5-3-16(21(22)24)15-18(17)25/h3-6,17-18,20,23,26H,7-15H2,1-2H3/t17?,18?,20-,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	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))	BDBM425897 (US10512644, Compound alpha-6-mPEG3-O-Morphine) Show SMILES COCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:12,TLB:22:30:14:28.26.27,18:17:14:28.26.27| Show InChI InChI=1S/C24H33NO6/c1-25-8-7-24-17-4-6-20(30-14-13-29-12-11-28-10-9-27-2)23(24)31-22-19(26)5-3-16(21(22)24)15-18(17)25/h3-6,17-18,20,23,26H,7-15H2,1-2H3/t17?,18?,20-,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	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))	BDBM425897 (US10512644, Compound alpha-6-mPEG3-O-Morphine) Show SMILES COCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:12,TLB:22:30:14:28.26.27,18:17:14:28.26.27| Show InChI InChI=1S/C24H33NO6/c1-25-8-7-24-17-4-6-20(30-14-13-29-12-11-28-10-9-27-2)23(24)31-22-19(26)5-3-16(21(22)24)15-18(17)25/h3-6,17-18,20,23,26H,7-15H2,1-2H3/t17?,18?,20-,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	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