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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [588-1027,K691N,Y769C]/[588-1147,K691N,Y769C]' and Ligand = 'BDBM27608'   
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
Gag-Pol polyprotein [588-1027,K691N,Y769C]/[588-1147,K691N,Y769C]


(Human immunodeficiency virus type 1)		BDBM27608
PNG
(2-{4-[3-chloro-4-(2-{[3-(2-chloro-4-methylphenyl)-...)
Show SMILES Cc1ccc(-c2nn(C)cc2SCC(=O)Nc2ccc(cc2Cl)-c2ccc(CC(O)=O)cc2)c(Cl)c1
Show InChI InChI=1S/C27H23Cl2N3O3S/c1-16-3-9-20(21(28)11-16)27-24(14-32(2)31-27)36-15-25(33)30-23-10-8-19(13-22(23)29)18-6-4-17(5-7-18)12-26(34)35/h3-11,13-14H,12,15H2,1-2H3,(H,30,33)(H,34,35)
PDB
MMDB

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.48E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.



Assay Description
IC50 values for wild-type and mutant RTs were obtained from a scintillation prox imity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value repres...

Bioorg Med Chem Lett 19: 1199-205 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.074
BindingDB Entry DOI: 10.7270/Q2ZG6QKQ
More data for this
Ligand-Target Pair