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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 = 'BDBM95259'   
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...)
BDBM95259
PNG
(3,4-dimethyl-2-(4-methylphenyl)-2,6-dihydro-7H-pyr...)
Show SMILES Cc1n(nc2c1c(C)n[nH]c2=S)-c1ccc(C)cc1
Show InChI InChI=1S/C14H14N4S/c1-8-4-6-11(7-5-8)18-10(3)12-9(2)15-16-14(19)13(12)17-18/h4-7H,1-3H3,(H,16,19)
PDB

UniProtKB/SwissProt

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PCBioAssay
n/an/a 2.25E+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...)
BDBM95259
PNG
(3,4-dimethyl-2-(4-methylphenyl)-2,6-dihydro-7H-pyr...)
Show SMILES Cc1n(nc2c1c(C)n[nH]c2=S)-c1ccc(C)cc1
Show InChI InChI=1S/C14H14N4S/c1-8-4-6-11(7-5-8)18-10(3)12-9(2)15-16-14(19)13(12)17-18/h4-7H,1-3H3,(H,16,19)
PDB

UniProtKB/SwissProt

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UniChem

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PCBioAssay
n/an/a 2.43E+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...)
BDBM95259
PNG
(3,4-dimethyl-2-(4-methylphenyl)-2,6-dihydro-7H-pyr...)
Show SMILES Cc1n(nc2c1c(C)n[nH]c2=S)-c1ccc(C)cc1
Show InChI InChI=1S/C14H14N4S/c1-8-4-6-11(7-5-8)18-10(3)12-9(2)15-16-14(19)13(12)17-18/h4-7H,1-3H3,(H,16,19)
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