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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 = 'BDBM54995'   
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...)
BDBM54995
PNG
(2,4-dimethoxy-N-[(2-oxidanylidene-1,3-dihydrobenzi...)
Show SMILES COc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)c(OC)c1
Show InChI InChI=1S/C17H16N4O4S/c1-24-10-4-5-11(14(8-10)25-2)15(22)21-17(26)18-9-3-6-12-13(7-9)20-16(23)19-12/h3-8H,1-2H3,(H2,19,20,23)(H2,18,21,22,26)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.27E+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...)
BDBM54995
PNG
(2,4-dimethoxy-N-[(2-oxidanylidene-1,3-dihydrobenzi...)
Show SMILES COc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)c(OC)c1
Show InChI InChI=1S/C17H16N4O4S/c1-24-10-4-5-11(14(8-10)25-2)15(22)21-17(26)18-9-3-6-12-13(7-9)20-16(23)19-12/h3-8H,1-2H3,(H2,19,20,23)(H2,18,21,22,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.85E+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...)
BDBM54995
PNG
(2,4-dimethoxy-N-[(2-oxidanylidene-1,3-dihydrobenzi...)
Show SMILES COc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)c(OC)c1
Show InChI InChI=1S/C17H16N4O4S/c1-24-10-4-5-11(14(8-10)25-2)15(22)21-17(26)18-9-3-6-12-13(7-9)20-16(23)19-12/h3-8H,1-2H3,(H2,19,20,23)(H2,18,21,22,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.63E+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