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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Envelope glycoprotein gp160' and Ligand = 'BDBM82724'   
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 group M subtyp...)
BDBM82724
PNG
(MLS000585398 | N-(2-ethylphenyl)-2-[2-(4-methoxyph...)
Show SMILES CCc1ccccc1NC(=O)COc1ccc2oc(cc(=O)c2c1)-c1ccc(OC)cc1
Show InChI InChI=1S/C26H23NO5/c1-3-17-6-4-5-7-22(17)27-26(29)16-31-20-12-13-24-21(14-20)23(28)15-25(32-24)18-8-10-19(30-2)11-9-18/h4-15H,3,16H2,1-2H3,(H,27,29)
PDB

UniProtKB/SwissProt

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PC sid
UniChem
PCBioAssay
n/an/a 3.63E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q29W0D3P
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM82724
PNG
(MLS000585398 | N-(2-ethylphenyl)-2-[2-(4-methoxyph...)
Show SMILES CCc1ccccc1NC(=O)COc1ccc2oc(cc(=O)c2c1)-c1ccc(OC)cc1
Show InChI InChI=1S/C26H23NO5/c1-3-17-6-4-5-7-22(17)27-26(29)16-31-20-12-13-24-21(14-20)23(28)15-25(32-24)18-8-10-19(30-2)11-9-18/h4-15H,3,16H2,1-2H3,(H,27,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.70E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM82724
PNG
(MLS000585398 | N-(2-ethylphenyl)-2-[2-(4-methoxyph...)
Show SMILES CCc1ccccc1NC(=O)COc1ccc2oc(cc(=O)c2c1)-c1ccc(OC)cc1
Show InChI InChI=1S/C26H23NO5/c1-3-17-6-4-5-7-22(17)27-26(29)16-31-20-12-13-24-21(14-20)23(28)15-25(32-24)18-8-10-19(30-2)11-9-18/h4-15H,3,16H2,1-2H3,(H,27,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KD1WJB
More data for this
Ligand-Target Pair