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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein' and Ligand = 'BDBM267365'   
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


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM267365
PNG
(3-Chloro-5-[1-(2- dimethylamino-6-oxo- 1,6-dihydro...)
Show SMILES CN(C)c1ncc(Cn2cnc(c(Oc3cc(Cl)cc(c3)C#N)c2=O)C(F)(F)F)c(=O)[nH]1
Show InChI InChI=1S/C19H14ClF3N6O3/c1-28(2)18-25-7-11(16(30)27-18)8-29-9-26-15(19(21,22)23)14(17(29)31)32-13-4-10(6-24)3-12(20)5-13/h3-5,7,9H,8H2,1-2H3,(H,25,27,30)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The heterodimeric nucleic acid substrate used in the HIV-1 RT polymerase reactions was generated by annealing the DNA primer, biotinylated pD500 (Sig...


US Patent US10189831 (2019)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM267365
PNG
(3-Chloro-5-[1-(2- dimethylamino-6-oxo- 1,6-dihydro...)
Show SMILES CN(C)c1ncc(Cn2cnc(c(Oc3cc(Cl)cc(c3)C#N)c2=O)C(F)(F)F)c(=O)[nH]1
Show InChI InChI=1S/C19H14ClF3N6O3/c1-28(2)18-25-7-11(16(30)27-18)8-29-9-26-15(19(21,22)23)14(17(29)31)32-13-4-10(6-24)3-12(20)5-13/h3-5,7,9H,8H2,1-2H3,(H,25,27,30)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/a7.825



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The heterodimeric nucleic acid substrate used in the HIV-1 RT polymerase reactions was generated by annealing the DNA primer, biotinylated pD500 (Sig...


US Patent US9718819 (2017)

More data for this
Ligand-Target Pair