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SMILES: COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(s1)[C@@H](CO)N(Cc1ccnc(OC)c1)S(=O)(=O)c1ccc2scnc2c1

InChI Key: InChIKey=YHRUSEAGNMBFFQ-PJTQZDKOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 180147   
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...)		BDBM180147
PNG
(US9133157, 28)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(s1)[C@@H](CO)N(Cc1ccnc(OC)c1)S(=O)(=O)c1ccc2scnc2c1 |r|
Show InChI InChI=1S/C38H37N5O7S3/c1-49-34-19-25(17-18-39-34)22-43(53(47,48)29-14-16-32-30(20-29)41-24-51-32)31(23-44)33-15-13-28(52-33)21-40-37(45)36(42-38(46)50-2)35(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-20,24,31,35-36,44H,21-23H2,1-2H3,(H,40,45)(H,42,46)/t31-,36+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
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Similars
US Patent
n/an/a 1.45n/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