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SMILES: COCCOCCOCCNc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12

InChI Key: InChIKey=OULNAYSUTLARAJ-LOKVAIBVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 468559   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
HIV-1 protease


(Human immunodeficiency virus)		BDBM468559
PNG
(US10806794, Compound mPEG3-N-Darunavir)
Show SMILES COCCOCCOCCNc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 |r|
Show InChI InChI=1S/C34H51N3O10S/c1-25(2)22-37(48(40,41)28-11-9-27(10-12-28)35-14-16-43-19-20-44-18-17-42-3)23-31(38)30(21-26-7-5-4-6-8-26)36-34(39)47-32-24-46-33-29(32)13-15-45-33/h4-12,25,29-33,35,38H,13-24H2,1-3H3,(H,36,39)/t29-,30-,31?,32-,33+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.30n/an/an/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...

US Patent US10806794 (2020)


BindingDB Entry DOI: 10.7270/Q2QR516Q
More data for this
Ligand-Target Pair