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SMILES: COc1ccc(CN(Cc2ccc3OCOc3c2)C(=O)NCCCC[C@@H](CO)N(CCC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1

InChI Key: InChIKey=JOPONHSJMMHOPQ-LJAQVGFWSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9839   
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
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)		BDBM9839
PNG
(3-[(5S)-5-[(4-aminobenzene)(3-methylbutyl)sulfonam...)
Show SMILES COc1ccc(CN(Cc2ccc3OCOc3c2)C(=O)NCCCC[C@@H](CO)N(CCC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1 |r|
Show InChI InChI=1S/C34H46N4O7S/c1-25(2)17-19-38(46(41,42)31-14-10-28(35)11-15-31)29(23-39)6-4-5-18-36-34(40)37(21-26-7-12-30(43-3)13-8-26)22-27-9-16-32-33(20-27)45-24-44-32/h7-16,20,25,29,39H,4-6,17-19,21-24,35H2,1-3H3,(H,36,40)/t29-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
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Similars
Article
PubMed
 2.90n/an/an/an/an/an/an/an/a



Procyon Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-Ser-Gln-Asn-Tyr-Pr...

Bioorg Med Chem Lett 14: 3971-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.049
BindingDB Entry DOI: 10.7270/Q22V2DB2
More data for this
Ligand-Target Pair