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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM425935'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM425935
PNG
(US10512644, Compound 6-O-mPEG5-Nalbuphine)
Show SMILES COCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r,TLB:19:20:41.24.23:33.35.34,THB:21:20:41.24.23:33.35.34|
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

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US Patent
 35.6n/an/an/an/an/an/an/an/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