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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Envelope glycoprotein gp160' and Ligand = 'BDBM279185'   
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
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM279185
PNG
(US10035760, Example 13)
Show SMILES CN(C(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)c1cc(C)ccc1C)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C26H27N3O6S/c1-17-9-10-18(2)24(13-17)36(32,33)28-26(31)27-21(14-19-7-5-4-6-8-19)25(30)29(3)20-11-12-22-23(15-20)35-16-34-22/h4-13,15,21H,14,16H2,1-3H3,(H2,27,28,31)/t21-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 50n/an/an/an/a



ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
HIV cell culture assay¿MT-2 cells, 293T cells and the proviral DNA clone of NL4-3 virus were obtained from the NIH AIDS Research and Reference Reagen...


US Patent US10035760 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RBW
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM279185
PNG
(US10035760, Example 13)
Show SMILES CN(C(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)c1cc(C)ccc1C)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C26H27N3O6S/c1-17-9-10-18(2)24(13-17)36(32,33)28-26(31)27-21(14-19-7-5-4-6-8-19)25(30)29(3)20-11-12-22-23(15-20)35-16-34-22/h4-13,15,21H,14,16H2,1-3H3,(H2,27,28,31)/t21-/m0/s1
PDB

UniProtKB/TrEMBL

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



ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
HIV cell culture assay¿MT-2 cells, 293T cells and the proviral DNA clone of NL4-3 virus were obtained from the NIH AIDS Research and Reference Reagen...


US Patent US10035760 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RBW
More data for this
Ligand-Target Pair