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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 1045   
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]


(Human immunodeficiency virus type 1)		BDBM1045
PNG
(Hydroxyethylene dipeptide isostere 37 | tert-butyl...)
Show SMILES [H][C@@]1(NC(=O)[C@@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2cccc(O)c2)[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C33H40N2O6/c1-33(2,3)41-32(40)34-27(18-21-10-5-4-6-11-21)28(37)20-24(16-22-12-9-14-25(36)17-22)31(39)35-30-26-15-8-7-13-23(26)19-29(30)38/h4-15,17,24,27-30,36-38H,16,18-20H2,1-3H3,(H,34,40)(H,35,39)/t24-,27+,28+,29-,30+/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.210n/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 ...

J Med Chem 35: 1702-9 (1992)


Article DOI: 10.1021/jm00088a004
BindingDB Entry DOI: 10.7270/Q2N877ZC
More data for this
Ligand-Target Pair