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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 = 'BDBM95273'   
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...)
BDBM95273
PNG
(6-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-q...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CCCCCn2c(=S)[nH]c3ccc(Br)cc3c2=O)cc1
Show InChI InChI=1S/C22H25BrN4O4S2/c23-16-7-10-19-18(14-16)21(29)27(22(32)26-19)13-3-1-2-4-20(28)25-12-11-15-5-8-17(9-6-15)33(24,30)31/h5-10,14H,1-4,11-13H2,(H,25,28)(H,26,32)(H2,24,30,31)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.06E+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...)
BDBM95273
PNG
(6-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-q...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CCCCCn2c(=S)[nH]c3ccc(Br)cc3c2=O)cc1
Show InChI InChI=1S/C22H25BrN4O4S2/c23-16-7-10-19-18(14-16)21(29)27(22(32)26-19)13-3-1-2-4-20(28)25-12-11-15-5-8-17(9-6-15)33(24,30)31/h5-10,14H,1-4,11-13H2,(H,25,28)(H,26,32)(H2,24,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.19E+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...)
BDBM95273
PNG
(6-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-q...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CCCCCn2c(=S)[nH]c3ccc(Br)cc3c2=O)cc1
Show InChI InChI=1S/C22H25BrN4O4S2/c23-16-7-10-19-18(14-16)21(29)27(22(32)26-19)13-3-1-2-4-20(28)25-12-11-15-5-8-17(9-6-15)33(24,30)31/h5-10,14H,1-4,11-13H2,(H,25,28)(H,26,32)(H2,24,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.36E+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