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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 = 'BDBM95307'   
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...)
BDBM95307
PNG
(2-(4-Butyl-2,3-dihydro-1H-6-thia-5,8,10-triaza-cyc...)
Show SMILES CCCCc1nc2sc3c(SCC(=O)NCc4ccco4)ncnc3c2c2CCCc12
Show InChI InChI=1S/C23H24N4O2S2/c1-2-3-9-17-15-7-4-8-16(15)19-20-21(31-22(19)27-17)23(26-13-25-20)30-12-18(28)24-11-14-6-5-10-29-14/h5-6,10,13H,2-4,7-9,11-12H2,1H3,(H,24,28)
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UniProtKB/SwissProt

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PCBioAssay
n/an/a 1.55E+3n/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...)
BDBM95307
PNG
(2-(4-Butyl-2,3-dihydro-1H-6-thia-5,8,10-triaza-cyc...)
Show SMILES CCCCc1nc2sc3c(SCC(=O)NCc4ccco4)ncnc3c2c2CCCc12
Show InChI InChI=1S/C23H24N4O2S2/c1-2-3-9-17-15-7-4-8-16(15)19-20-21(31-22(19)27-17)23(26-13-25-20)30-12-18(28)24-11-14-6-5-10-29-14/h5-6,10,13H,2-4,7-9,11-12H2,1H3,(H,24,28)
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UniProtKB/SwissProt

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UniChem

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PCBioAssay
n/an/a 1.72E+3n/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...)
BDBM95307
PNG
(2-(4-Butyl-2,3-dihydro-1H-6-thia-5,8,10-triaza-cyc...)
Show SMILES CCCCc1nc2sc3c(SCC(=O)NCc4ccco4)ncnc3c2c2CCCc12
Show InChI InChI=1S/C23H24N4O2S2/c1-2-3-9-17-15-7-4-8-16(15)19-20-21(31-22(19)27-17)23(26-13-25-20)30-12-18(28)24-11-14-6-5-10-29-14/h5-6,10,13H,2-4,7-9,11-12H2,1H3,(H,24,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.28E+3n/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