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SMILES: COCCOCCOCCOC(=O)N[C@@H](C(=O)NC(Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@H](NC(=O)OCCOCCOCCOC)C(C)(C)C)C(C)(C)C

InChI Key: InChIKey=WBPJJSLJUUFQHW-NIAYELQZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 468300   
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)		BDBM468300
PNG
(US10806794, Compound di-mPEG3-Atazanavir)
Show SMILES COCCOCCOCCOC(=O)N[C@@H](C(=O)NC(Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@H](NC(=O)OCCOCCOCCOC)C(C)(C)C)C(C)(C)C |r|
Show InChI InChI=1S/C50H76N6O13/c1-49(2,3)43(53-47(60)68-32-30-66-28-26-64-24-22-62-7)45(58)52-41(34-37-14-10-9-11-15-37)42(57)36-56(35-38-17-19-39(20-18-38)40-16-12-13-21-51-40)55-46(59)44(50(4,5)6)54-48(61)69-33-31-67-29-27-65-25-23-63-8/h9-21,41-44,57H,22-36H2,1-8H3,(H,52,58)(H,53,60)(H,54,61)(H,55,59)/t41?,42-,43-,44-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12.7n/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