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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 = 'BDBM66167'   
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...)
BDBM66167
PNG
(3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro...)
Show SMILES Cc1ccc(cc1)-n1c(=S)[nH]c2c3ccccc3oc2c1=O
Show InChI InChI=1S/C17H12N2O2S/c1-10-6-8-11(9-7-10)19-16(20)15-14(18-17(19)22)12-4-2-3-5-13(12)21-15/h2-9H,1H3,(H,18,22)
PDB

UniProtKB/SwissProt

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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
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM66167
PNG
(3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro...)
Show SMILES Cc1ccc(cc1)-n1c(=S)[nH]c2c3ccccc3oc2c1=O
Show InChI InChI=1S/C17H12N2O2S/c1-10-6-8-11(9-7-10)19-16(20)15-14(18-17(19)22)12-4-2-3-5-13(12)21-15/h2-9H,1H3,(H,18,22)
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/Q29W0D3P
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM66167
PNG
(3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro...)
Show SMILES Cc1ccc(cc1)-n1c(=S)[nH]c2c3ccccc3oc2c1=O
Show InChI InChI=1S/C17H12N2O2S/c1-10-6-8-11(9-7-10)19-16(20)15-14(18-17(19)22)12-4-2-3-5-13(12)21-15/h2-9H,1H3,(H,18,22)
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/Q2FN14T0
More data for this
Ligand-Target Pair