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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 = 'BDBM95272'   
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...)
BDBM95272
PNG
(3-ethyl-5,5-dimethyl-2-sulfanylidene-1,6-dihydrobe...)
Show SMILES CCn1c(=S)[nH]c2-c3ccccc3CC(C)(C)c2c1=O
Show InChI InChI=1S/C16H18N2OS/c1-4-18-14(19)12-13(17-15(18)20)11-8-6-5-7-10(11)9-16(12,2)3/h5-8H,4,9H2,1-3H3,(H,17,20)
PDB

UniProtKB/SwissProt

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PCBioAssay
n/an/a 2.90E+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...)
BDBM95272
PNG
(3-ethyl-5,5-dimethyl-2-sulfanylidene-1,6-dihydrobe...)
Show SMILES CCn1c(=S)[nH]c2-c3ccccc3CC(C)(C)c2c1=O
Show InChI InChI=1S/C16H18N2OS/c1-4-18-14(19)12-13(17-15(18)20)11-8-6-5-7-10(11)9-16(12,2)3/h5-8H,4,9H2,1-3H3,(H,17,20)
PDB

UniProtKB/SwissProt

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PC sid
UniChem

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PCBioAssay
n/an/a 4.92E+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...)
BDBM95272
PNG
(3-ethyl-5,5-dimethyl-2-sulfanylidene-1,6-dihydrobe...)
Show SMILES CCn1c(=S)[nH]c2-c3ccccc3CC(C)(C)c2c1=O
Show InChI InChI=1S/C16H18N2OS/c1-4-18-14(19)12-13(17-15(18)20)11-8-6-5-7-10(11)9-16(12,2)3/h5-8H,4,9H2,1-3H3,(H,17,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>6.71E+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