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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 = 'BDBM267369'   
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...)
BDBM267369
PNG
(3-chloro-5-((1-((2- cyclopropyl-6-oxo-1,6- dihydro...)
Show SMILES FC(F)(F)c1ncn(Cc2cnc([nH]c2=O)C2CC2)c(=O)c1Oc1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C20H13ClF3N5O3/c21-13-3-10(6-25)4-14(5-13)32-15-16(20(22,23)24)27-9-29(19(15)31)8-12-7-26-17(11-1-2-11)28-18(12)30/h3-5,7,9,11H,1-2,8H2,(H,26,28,30)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9n/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...)
BDBM267369
PNG
(3-chloro-5-((1-((2- cyclopropyl-6-oxo-1,6- dihydro...)
Show SMILES FC(F)(F)c1ncn(Cc2cnc([nH]c2=O)C2CC2)c(=O)c1Oc1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C20H13ClF3N5O3/c21-13-3-10(6-25)4-14(5-13)32-15-16(20(22,23)24)27-9-29(19(15)31)8-12-7-26-17(11-1-2-11)28-18(12)30/h3-5,7,9,11H,1-2,8H2,(H,26,28,30)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9n/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