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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 = 'BDBM95263'   
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...)
BDBM95263
PNG
(2-(5,6-Dimethyl-2-propyl-thieno[2,3-d]pyrimidin-4-...)
Show SMILES CCCc1nc(SCC(=O)Nc2nnc(CC)s2)c2c(C)c(C)sc2n1
Show InChI InChI=1S/C17H21N5OS3/c1-5-7-11-18-15(14-9(3)10(4)25-16(14)19-11)24-8-12(23)20-17-22-21-13(6-2)26-17/h5-8H2,1-4H3,(H,20,22,23)
PDB

UniProtKB/SwissProt

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PCBioAssay
n/an/a 1.65E+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...)
BDBM95263
PNG
(2-(5,6-Dimethyl-2-propyl-thieno[2,3-d]pyrimidin-4-...)
Show SMILES CCCc1nc(SCC(=O)Nc2nnc(CC)s2)c2c(C)c(C)sc2n1
Show InChI InChI=1S/C17H21N5OS3/c1-5-7-11-18-15(14-9(3)10(4)25-16(14)19-11)24-8-12(23)20-17-22-21-13(6-2)26-17/h5-8H2,1-4H3,(H,20,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.72E+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...)
BDBM95263
PNG
(2-(5,6-Dimethyl-2-propyl-thieno[2,3-d]pyrimidin-4-...)
Show SMILES CCCc1nc(SCC(=O)Nc2nnc(CC)s2)c2c(C)c(C)sc2n1
Show InChI InChI=1S/C17H21N5OS3/c1-5-7-11-18-15(14-9(3)10(4)25-16(14)19-11)24-8-12(23)20-17-22-21-13(6-2)26-17/h5-8H2,1-4H3,(H,20,22,23)
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