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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 = 'BDBM95264'   
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...)
BDBM95264
PNG
(2-[2-[(4-methylphenyl)carbamothioylamino]-1,3-thia...)
Show SMILES Cc1ccc(NC(=S)Nc2nc(CC(=O)Nc3ccccc3)cs2)cc1
Show InChI InChI=1S/C19H18N4OS2/c1-13-7-9-15(10-8-13)21-18(25)23-19-22-16(12-26-19)11-17(24)20-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,24)(H2,21,22,23,25)
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UniProtKB/SwissProt

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PC sid
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PCBioAssay
n/an/a 2.61E+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...)
BDBM95264
PNG
(2-[2-[(4-methylphenyl)carbamothioylamino]-1,3-thia...)
Show SMILES Cc1ccc(NC(=S)Nc2nc(CC(=O)Nc3ccccc3)cs2)cc1
Show InChI InChI=1S/C19H18N4OS2/c1-13-7-9-15(10-8-13)21-18(25)23-19-22-16(12-26-19)11-17(24)20-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,24)(H2,21,22,23,25)
PDB

UniProtKB/SwissProt

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AffyNet 
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 3.23E+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...)
BDBM95264
PNG
(2-[2-[(4-methylphenyl)carbamothioylamino]-1,3-thia...)
Show SMILES Cc1ccc(NC(=S)Nc2nc(CC(=O)Nc3ccccc3)cs2)cc1
Show InChI InChI=1S/C19H18N4OS2/c1-13-7-9-15(10-8-13)21-18(25)23-19-22-16(12-26-19)11-17(24)20-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,24)(H2,21,22,23,25)
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