null

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

InChI Key: InChIKey=QFUYDKHFEAYIIN-ONLIBJPCSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 425937   

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))	BDBM425937 (US10512644, Compound 6-O-mPEG7-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r,TLB:25:26:47.30.29:39.41.40,THB:27:26:47.30.29:39.41.40| Show InChI InChI=1S/C36H57NO11/c1-40-11-12-41-13-14-42-15-16-43-17-18-44-19-20-45-21-22-46-23-24-47-30-7-8-36(39)31-25-28-5-6-29(38)33-32(28)35(36,34(30)48-33)9-10-37(31)26-27-3-2-4-27/h5-6,27,30-31,34,38-39H,2-4,7-26H2,1H3/t30-,31+,34-,35-,36+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	77.9	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))	BDBM425937 (US10512644, Compound 6-O-mPEG7-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r,TLB:25:26:47.30.29:39.41.40,THB:27:26:47.30.29:39.41.40| Show InChI InChI=1S/C36H57NO11/c1-40-11-12-41-13-14-42-15-16-43-17-18-44-19-20-45-21-22-46-23-24-47-30-7-8-36(39)31-25-28-5-6-29(38)33-32(28)35(36,34(30)48-33)9-10-37(31)26-27-3-2-4-27/h5-6,27,30-31,34,38-39H,2-4,7-26H2,1H3/t30-,31+,34-,35-,36+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	314	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM425937 (US10512644, Compound 6-O-mPEG7-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r,TLB:25:26:47.30.29:39.41.40,THB:27:26:47.30.29:39.41.40| Show InChI InChI=1S/C36H57NO11/c1-40-11-12-41-13-14-42-15-16-43-17-18-44-19-20-45-21-22-46-23-24-47-30-7-8-36(39)31-25-28-5-6-29(38)33-32(28)35(36,34(30)48-33)9-10-37(31)26-27-3-2-4-27/h5-6,27,30-31,34,38-39H,2-4,7-26H2,1H3/t30-,31+,34-,35-,36+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	346	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