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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 = 'BDBM267292'   
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...)
BDBM267292
PNG
(3-chloro-5-((1-((5-(4- (2,2-difluoro-1- hydroxyeth...)
Show SMILES OC(C(F)F)c1ccc(cc1)-c1cc(Cn2cnc(c(Oc3cc(Cl)cc(c3)C#N)c2=O)C(F)(F)F)n[nH]c1=O
Show InChI InChI=1S/C25H15ClF5N5O4/c26-15-5-12(9-32)6-17(7-15)40-20-21(25(29,30)31)33-11-36(24(20)39)10-16-8-18(23(38)35-34-16)13-1-3-14(4-2-13)19(37)22(27)28/h1-8,11,19,22,37H,10H2,(H,35,38)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/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...)
BDBM267292
PNG
(3-chloro-5-((1-((5-(4- (2,2-difluoro-1- hydroxyeth...)
Show SMILES OC(C(F)F)c1ccc(cc1)-c1cc(Cn2cnc(c(Oc3cc(Cl)cc(c3)C#N)c2=O)C(F)(F)F)n[nH]c1=O
Show InChI InChI=1S/C25H15ClF5N5O4/c26-15-5-12(9-32)6-17(7-15)40-20-21(25(29,30)31)33-11-36(24(20)39)10-16-8-18(23(38)35-34-16)13-1-3-14(4-2-13)19(37)22(27)28/h1-8,11,19,22,37H,10H2,(H,35,38)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/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