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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 = 'BDBM95298'   
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...)
BDBM95298
PNG
(MLS001159132 | SMR000651457 | cid_17581362)
Show SMILES COc1cccc(NC(=O)Cn2c3ccc(OC)cc3c3nc4SCCn4c(=O)c23)c1
Show InChI InChI=1S/C22H20N4O4S/c1-29-14-5-3-4-13(10-14)23-18(27)12-26-17-7-6-15(30-2)11-16(17)19-20(26)21(28)25-8-9-31-22(25)24-19/h3-7,10-11H,8-9,12H2,1-2H3,(H,23,27)
PDB

UniProtKB/SwissProt

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PCBioAssay
n/an/a 8.95E+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...)
BDBM95298
PNG
(MLS001159132 | SMR000651457 | cid_17581362)
Show SMILES COc1cccc(NC(=O)Cn2c3ccc(OC)cc3c3nc4SCCn4c(=O)c23)c1
Show InChI InChI=1S/C22H20N4O4S/c1-29-14-5-3-4-13(10-14)23-18(27)12-26-17-7-6-15(30-2)11-16(17)19-20(26)21(28)25-8-9-31-22(25)24-19/h3-7,10-11H,8-9,12H2,1-2H3,(H,23,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.12E+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...)
BDBM95298
PNG
(MLS001159132 | SMR000651457 | cid_17581362)
Show SMILES COc1cccc(NC(=O)Cn2c3ccc(OC)cc3c3nc4SCCn4c(=O)c23)c1
Show InChI InChI=1S/C22H20N4O4S/c1-29-14-5-3-4-13(10-14)23-18(27)12-26-17-7-6-15(30-2)11-16(17)19-20(26)21(28)25-8-9-31-22(25)24-19/h3-7,10-11H,8-9,12H2,1-2H3,(H,23,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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