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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 9116   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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)		BDBM9116
PNG
((2S)-4-{[5-(4-chlorophenyl)furan-2-yl]methyl}-1-[(...)
Show SMILES O[C@@H](C[C@@H](Cc1nnc(o1)-c1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccc(o2)-c2ccc(Cl)cc2)C[C@H]1C(=O)NCC(F)(F)F |r|
Show InChI InChI=1S/C41H42ClF3N6O7/c42-28-12-10-25(11-13-28)34-15-14-30(57-34)21-50-16-17-51(32(22-50)39(55)46-24-41(43,44)45)20-29(52)18-27(19-36-48-49-40(58-36)26-6-2-1-3-7-26)38(54)47-37-31-8-4-5-9-35(31)56-23-33(37)53/h1-15,27,29,32-33,37,52-53H,16-24H2,(H,46,55)(H,47,54)/t27-,29-,32-,33+,37-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.0190n/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 14: 4651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.092
BindingDB Entry DOI: 10.7270/Q22Z13QX
More data for this
Ligand-Target Pair