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BDBM180204 US9133157, 86

SMILES: COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC1CC1)S(=O)(=O)c1ccc(N)cc1)C(F)(F)F

InChI Key: InChIKey=SZRMAULHKCZLIV-ZSUPJWAMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 180204   
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
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM180204
PNG
(US9133157, 86)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC1CC1)S(=O)(=O)c1ccc(N)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C36H39F3N4O6S2/c1-49-35(46)41-32(31(24-8-4-2-5-9-24)25-10-6-3-7-11-25)34(45)42-33(36(37,38)39)30-19-18-29(50-30)28(22-44)43(21-20-23-12-13-23)51(47,48)27-16-14-26(40)15-17-27/h2-11,14-19,23,28,31-33,44H,12-13,20-22,40H2,1H3,(H,41,46)(H,42,45)/t28-,32+,33-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 0.340n/an/an/an/a5.525



Merck Canada Inc.

US Patent


Assay Description
The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...

US Patent US9133157 (2015)


BindingDB Entry DOI: 10.7270/Q2Q52NDV
More data for this
Ligand-Target Pair