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SMILES: Cc1nc(C)c(-c2ccc3CN(CCc3c2)C(=O)OCc2ccccc2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O

InChI Key: InChIKey=ZDOGFYUROQWAML-BHVANESWSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 293282   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gag-Pol polyprotein [489-587,Q496K]


(Human immunodeficiency virus type 1)
BDBM293282
PNG
(US10106504, Example 19)
Show SMILES Cc1nc(C)c(-c2ccc3CN(CCc3c2)C(=O)OCc2ccccc2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C39H42N2O6/c1-24-33(29-13-14-31-22-41(18-17-27(31)20-29)38(44)46-23-26-10-7-6-8-11-26)35(30-15-16-32-28(21-30)12-9-19-45-32)34(25(2)40-24)36(37(42)43)47-39(3,4)5/h6-8,10-11,13-16,20-21,36H,9,12,17-19,22-23H2,1-5H3,(H,42,43)/t36-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 69n/an/a7.55n/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-RLuc proviral clone was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. Thi...


US Patent US10106504 (2018)


BindingDB Entry DOI: 10.7270/Q2BC41K2
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K]


(Human immunodeficiency virus type 1)
BDBM293282
PNG
(US10106504, Example 19)
Show SMILES Cc1nc(C)c(-c2ccc3CN(CCc3c2)C(=O)OCc2ccccc2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C39H42N2O6/c1-24-33(29-13-14-31-22-41(18-17-27(31)20-29)38(44)46-23-26-10-7-6-8-11-26)35(30-15-16-32-28(21-30)12-9-19-45-32)34(25(2)40-24)36(37(42)43)47-39(3,4)5/h6-8,10-11,13-16,20-21,36H,9,12,17-19,22-23H2,1-5H3,(H,42,43)/t36-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<100n/an/a7.55n/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-RLuc proviral clone was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. Thi...


US Patent US10106504 (2018)


BindingDB Entry DOI: 10.7270/Q2BC41K2
More data for this
Ligand-Target Pair