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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [600-1027,R876K]/[600-1155]' and Ligand = 'BDBM10232'   
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 [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)
BDBM10232
PNG
(5-chloro-13-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl...)
Show SMILES CCN1c2nc(Cl)cc(C)c2NC(=O)c2cc(CSc3nc(C)cc(C)n3)cnc12
Show InChI InChI=1S/C21H21ClN6OS/c1-5-28-18-15(20(29)27-17-11(2)6-16(22)26-19(17)28)8-14(9-23-18)10-30-21-24-12(3)7-13(4)25-21/h6-9H,5,10H2,1-4H3,(H,27,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/a7.437



Boehringer Ingelheim (Canada) Ltd.



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


Bioorg Med Chem Lett 14: 739-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.049
BindingDB Entry DOI: 10.7270/Q2C53J2D
More data for this
Ligand-Target Pair