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SMILES: CC[C@@H](C1=C(O)C[C@@](CCCNC(=O)OCCOCCOCCOCCOCCOC)(CCc2ccccc2)OC1=O)c1cccc(NS(=O)(=O)c2ccc(cn2)C(F)(F)F)c1

InChI Key: InChIKey=NNBCVULMVHXQSK-CBZWEFONSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 468570   
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)		BDBM468570
PNG
(US10806794, Compound mPEG5-OCONH-Tipranavir)
Show SMILES CC[C@@H](C1=C(O)C[C@@](CCCNC(=O)OCCOCCOCCOCCOCCOC)(CCc2ccccc2)OC1=O)c1cccc(NS(=O)(=O)c2ccc(cn2)C(F)(F)F)c1 |r,c:3|
Show InChI InChI=1S/C43H56F3N3O12S/c1-3-36(33-11-7-12-35(29-33)49-62(53,54)38-14-13-34(31-48-38)43(44,45)46)39-37(50)30-42(61-40(39)51,17-15-32-9-5-4-6-10-32)16-8-18-47-41(52)60-28-27-59-26-25-58-24-23-57-22-21-56-20-19-55-2/h4-7,9-14,29,31,36,49-50H,3,8,15-28,30H2,1-2H3,(H,47,52)/t36-,42-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.462n/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)

More data for this
Ligand-Target Pair