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SMILES: O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccn(c2)-c2ccc(Cl)cc2)C[C@H]1C(=O)NCC(F)(F)F

InChI Key: InChIKey=PRPIEBUSWYMLSB-KRXYOAFOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9137   
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 [489-587,Q496K]


(Human immunodeficiency virus type 1)		BDBM9137
PNG
((2S)-4-{[1-(4-chlorophenyl)-1H-pyrrol-3-yl]methyl}...)
Show SMILES O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccn(c2)-c2ccc(Cl)cc2)C[C@H]1C(=O)NCC(F)(F)F |r|
Show InChI InChI=1S/C38H42ClF3N6O5/c39-28-7-9-29(10-8-28)47-13-11-26(20-47)19-46-14-15-48(32(22-46)37(52)44-24-38(40,41)42)21-30(49)17-27(16-25-4-3-12-43-18-25)36(51)45-35-31-5-1-2-6-34(31)53-23-33(35)50/h1-13,18,20,27,30,32-33,35,49-50H,14-17,19,21-24H2,(H,44,52)(H,45,51)/t27-,30+,32+,33-,35+/m1/s1
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Article
PubMed
n/an/a 0.0300n/an/an/an/a5.530



Merck Research Laboratories



Assay Description
Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...

Bioorg Med Chem Lett 13: 4027-30 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.049
BindingDB Entry DOI: 10.7270/Q2Z60M7Z
More data for this
Ligand-Target Pair