BDBM209008 US9233167, 6-O-mPEG5-Nalbuphine

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

InChI Key: InChIKey=PHZKNFKDLUYKPR-VSJOCJANSA-N

Data: 3 KI

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 3 hits for monomerid = 209008   

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))	BDBM209008 (US9233167, 6-O-mPEG5-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:19:20:23.24.41:35.33.34,THB:21:20:23.24.41:35.33.34| Show InChI InChI=1S/C32H49NO9/c1-36-11-12-37-13-14-38-15-16-39-17-18-40-19-20-41-26-7-8-32(35)27-21-24-5-6-25(34)29-28(24)31(32,30(26)42-29)9-10-33(27)22-23-3-2-4-23/h5-6,23,26-27,30,34-35H,2-4,7-22H2,1H3/t26-,27+,30?,31-,32+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	35.1	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))	BDBM209008 (US9233167, 6-O-mPEG5-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:19:20:23.24.41:35.33.34,THB:21:20:23.24.41:35.33.34| Show InChI InChI=1S/C32H49NO9/c1-36-11-12-37-13-14-38-15-16-39-17-18-40-19-20-41-26-7-8-32(35)27-21-24-5-6-25(34)29-28(24)31(32,30(26)42-29)9-10-33(27)22-23-3-2-4-23/h5-6,23,26-27,30,34-35H,2-4,7-22H2,1H3/t26-,27+,30?,31-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	35.6	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))	BDBM209008 (US9233167, 6-O-mPEG5-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:19:20:23.24.41:35.33.34,THB:21:20:23.24.41:35.33.34| Show InChI InChI=1S/C32H49NO9/c1-36-11-12-37-13-14-38-15-16-39-17-18-40-19-20-41-26-7-8-32(35)27-21-24-5-6-25(34)29-28(24)31(32,30(26)42-29)9-10-33(27)22-23-3-2-4-23/h5-6,23,26-27,30,34-35H,2-4,7-22H2,1H3/t26-,27+,30?,31-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	148	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