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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 = 'BDBM87726'   
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...)
BDBM87726
PNG
(MLS000539029 | N-(4-keto-6,7-dimethoxy-2-thioxo-1H...)
Show SMILES COc1cc2[nH]c(=S)n(NC(=O)c3ccccc3)c(=O)c2cc1OC
Show InChI InChI=1S/C17H15N3O4S/c1-23-13-8-11-12(9-14(13)24-2)18-17(25)20(16(11)22)19-15(21)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,18,25)(H,19,21)
PDB

UniProtKB/SwissProt

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PC sid
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PCBioAssay
n/an/a 2.51E+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...)
BDBM87726
PNG
(MLS000539029 | N-(4-keto-6,7-dimethoxy-2-thioxo-1H...)
Show SMILES COc1cc2[nH]c(=S)n(NC(=O)c3ccccc3)c(=O)c2cc1OC
Show InChI InChI=1S/C17H15N3O4S/c1-23-13-8-11-12(9-14(13)24-2)18-17(25)20(16(11)22)19-15(21)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,18,25)(H,19,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 4.34E+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
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM87726
PNG
(MLS000539029 | N-(4-keto-6,7-dimethoxy-2-thioxo-1H...)
Show SMILES COc1cc2[nH]c(=S)n(NC(=O)c3ccccc3)c(=O)c2cc1OC
Show InChI InChI=1S/C17H15N3O4S/c1-23-13-8-11-12(9-14(13)24-2)18-17(25)20(16(11)22)19-15(21)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,18,25)(H,19,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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