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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 = 'BDBM95300'   
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...)
BDBM95300
PNG
(3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-ethan...)
Show SMILES CC(=O)c1cccc(NC(=O)c2cccc(c2)N2C(=O)c3ccccc3C2=O)c1
Show InChI InChI=1S/C23H16N2O4/c1-14(26)15-6-4-8-17(12-15)24-21(27)16-7-5-9-18(13-16)25-22(28)19-10-2-3-11-20(19)23(25)29/h2-13H,1H3,(H,24,27)
PDB

UniProtKB/SwissProt

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PCBioAssay
n/an/a 2.99E+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
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95300
PNG
(3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-ethan...)
Show SMILES CC(=O)c1cccc(NC(=O)c2cccc(c2)N2C(=O)c3ccccc3C2=O)c1
Show InChI InChI=1S/C23H16N2O4/c1-14(26)15-6-4-8-17(12-15)24-21(27)16-7-5-9-18(13-16)25-22(28)19-10-2-3-11-20(19)23(25)29/h2-13H,1H3,(H,24,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 4.56E+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/Q29W0D3P
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95300
PNG
(3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-ethan...)
Show SMILES CC(=O)c1cccc(NC(=O)c2cccc(c2)N2C(=O)c3ccccc3C2=O)c1
Show InChI InChI=1S/C23H16N2O4/c1-14(26)15-6-4-8-17(12-15)24-21(27)16-7-5-9-18(13-16)25-22(28)19-10-2-3-11-20(19)23(25)29/h2-13H,1H3,(H,24,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.80E+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/Q2FN14T0
More data for this
Ligand-Target Pair