BDBM425938 US10512644, Compound 6-O-mPEG8-Nalbuphine

SMILES: COCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45

InChI Key: InChIKey=WUWLKBBKVXRTJE-ZOONCDFMSA-N

Data: 2 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 2 hits for monomerid = 425938   

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))	BDBM425938 (US10512644, Compound 6-O-mPEG8-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r,TLB:28:29:50.33.32:42.44.43,THB:30:29:50.33.32:42.44.43| Show InChI InChI=1S/C38H61NO12/c1-42-11-12-43-13-14-44-15-16-45-17-18-46-19-20-47-21-22-48-23-24-49-25-26-50-32-7-8-38(41)33-27-30-5-6-31(40)35-34(30)37(38,36(32)51-35)9-10-39(33)28-29-3-2-4-29/h5-6,29,32-33,36,40-41H,2-4,7-28H2,1H3/t32-,33+,36-,37-,38+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	79.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. US Patent					Assay Description Briefly, the receptor binding affinity of the nalbuphine and PEG-nalbuphine conjugates was measured using radioligand binding assays in CHO cells tha...				US Patent US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM425938 (US10512644, Compound 6-O-mPEG8-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r,TLB:28:29:50.33.32:42.44.43,THB:30:29:50.33.32:42.44.43| Show InChI InChI=1S/C38H61NO12/c1-42-11-12-43-13-14-44-15-16-45-17-18-46-19-20-47-21-22-48-23-24-49-25-26-50-32-7-8-38(41)33-27-30-5-6-31(40)35-34(30)37(38,36(32)51-35)9-10-39(33)28-29-3-2-4-29/h5-6,29,32-33,36,40-41H,2-4,7-28H2,1H3/t32-,33+,36-,37-,38+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	168	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. US Patent					Assay Description Briefly, the receptor binding affinity of the nalbuphine and PEG-nalbuphine conjugates was measured using radioligand binding assays in CHO cells tha...				US Patent US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair