BDBM208978 US9233167, 6-O-mPEG6-Nalbuphine

SMILES: COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45

InChI Key: InChIKey=FOYZLSYHIDVODR-PYDPPQKPSA-N

Data: 3 KI  1 IC50  1 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 = 208978   

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))	BDBM208978 (US9233167, 6-O-mPEG6-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:22:23:26.27.44:38.36.37,THB:24:23:26.27.44:38.36.37| Show InChI InChI=1S/C34H53NO10/c1-38-11-12-39-13-14-40-15-16-41-17-18-42-19-20-43-21-22-44-28-7-8-34(37)29-23-26-5-6-27(36)31-30(26)33(34,32(28)45-31)9-10-35(29)24-25-3-2-4-25/h5-6,25,28-29,32,36-37H,2-4,7-24H2,1H3/t28-,29+,32?,33-,34+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	44.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description Specific binding is determined by subtraction of the cpm bound in the presence of 50-100× excess of cold ligand. Binding data assays were analyzed us...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM208978 (US9233167, 6-O-mPEG6-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:22:23:26.27.44:38.36.37,THB:24:23:26.27.44:38.36.37| Show InChI InChI=1S/C34H53NO10/c1-38-11-12-39-13-14-40-15-16-41-17-18-42-19-20-43-21-22-44-28-7-8-34(37)29-23-26-5-6-27(36)31-30(26)33(34,32(28)45-31)9-10-35(29)24-25-3-2-4-25/h5-6,25,28-29,32,36-37H,2-4,7-24H2,1H3/t28-,29+,32?,33-,34+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description Specific binding is determined by subtraction of the cpm bound in the presence of 50-100× excess of cold ligand. Binding data assays were analyzed us...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM208978 (US9233167, 6-O-mPEG6-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:22:23:26.27.44:38.36.37,THB:24:23:26.27.44:38.36.37| Show InChI InChI=1S/C34H53NO10/c1-38-11-12-39-13-14-40-15-16-41-17-18-42-19-20-43-21-22-44-28-7-8-34(37)29-23-26-5-6-27(36)31-30(26)33(34,32(28)45-31)9-10-35(29)24-25-3-2-4-25/h5-6,25,28-29,32,36-37H,2-4,7-24H2,1H3/t28-,29+,32?,33-,34+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	247	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description Specific binding is determined by subtraction of the cpm bound in the presence of 50-100× excess of cold ligand. Binding data assays were analyzed us...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM208978 (US9233167, 6-O-mPEG6-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:22:23:26.27.44:38.36.37,THB:24:23:26.27.44:38.36.37| Show InChI InChI=1S/C34H53NO10/c1-38-11-12-39-13-14-40-15-16-41-17-18-42-19-20-43-21-22-44-28-7-8-34(37)29-23-26-5-6-27(36)31-30(26)33(34,32(28)45-31)9-10-35(29)24-25-3-2-4-25/h5-6,25,28-29,32,36-37H,2-4,7-24H2,1H3/t28-,29+,32?,33-,34+/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	284	n/a	n/a	n/a	n/a	7.4	30
Nektar Therapeutics US Patent					Assay Description Test compound and/or vehicle was preincubated with the cell membranes and 3 uM GDP in modified HEPES buffer (pH 7.4) for 20 minutes, followed by addi...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM208978 (US9233167, 6-O-mPEG6-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:22:23:26.27.44:38.36.37,THB:24:23:26.27.44:38.36.37| Show InChI InChI=1S/C34H53NO10/c1-38-11-12-39-13-14-40-15-16-41-17-18-42-19-20-43-21-22-44-28-7-8-34(37)29-23-26-5-6-27(36)31-30(26)33(34,32(28)45-31)9-10-35(29)24-25-3-2-4-25/h5-6,25,28-29,32,36-37H,2-4,7-24H2,1H3/t28-,29+,32?,33-,34+/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	164	n/a	n/a	7.4	30
Nektar Therapeutics US Patent					Assay Description Test compound and/or vehicle was preincubated with the cell membranes and 3 uM GDP in modified HEPES buffer (pH 7.4) for 20 minutes, followed by addi...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair