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BDBM171363 US9085571, Table 1, Compound 11

SMILES: COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(OC)cc(c1)C(=O)N(C)C1CCCCC1

InChI Key: InChIKey=ZGCCYRMVSXBCKI-OIDHKYIRSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 171363   
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
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM171363
PNG
(US9085571, Table 1, Compound 11)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(OC)cc(c1)C(=O)N(C)C1CCCCC1 |r|
Show InChI InChI=1S/C37H49N3O7S/c1-26(2)24-40(48(44,45)33-18-16-31(46-4)17-19-33)25-35(41)34(20-27-12-8-6-9-13-27)38-36(42)28-21-29(23-32(22-28)47-5)37(43)39(3)30-14-10-7-11-15-30/h6,8-9,12-13,16-19,21-23,26,30,34-35,41H,7,10-11,14-15,20,24-25H2,1-5H3,(H,38,42)/t34-,35+/m0/s1
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
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Similars
US Patent
 40n/an/an/an/an/an/an/an/a



Purdue Research Foundation

US Patent


Assay Description
Without being bound by theory, it is suggested that the compounds described herein may exert their utility by the inhibition of proteases encoded by ...

US Patent US9085571 (2015)


BindingDB Entry DOI: 10.7270/Q2N01590
More data for this
Ligand-Target Pair