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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 = 'BDBM95292'   
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...)
BDBM95292
PNG
(5-(4-bromophenyl)-1-methyl-2,4-dioxo-7-pyrido[2,3-...)
Show SMILES COC(=O)c1cc(-c2ccc(Br)cc2)c2c(n1)n(C)c(=O)[nH]c2=O
Show InChI InChI=1S/C16H12BrN3O4/c1-20-13-12(14(21)19-16(20)23)10(7-11(18-13)15(22)24-2)8-3-5-9(17)6-4-8/h3-7H,1-2H3,(H,19,21,23)
PDB

UniProtKB/SwissProt

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PC sid
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PCBioAssay
n/an/a 1.94E+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...)
BDBM95292
PNG
(5-(4-bromophenyl)-1-methyl-2,4-dioxo-7-pyrido[2,3-...)
Show SMILES COC(=O)c1cc(-c2ccc(Br)cc2)c2c(n1)n(C)c(=O)[nH]c2=O
Show InChI InChI=1S/C16H12BrN3O4/c1-20-13-12(14(21)19-16(20)23)10(7-11(18-13)15(22)24-2)8-3-5-9(17)6-4-8/h3-7H,1-2H3,(H,19,21,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 2.05E+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...)
BDBM95292
PNG
(5-(4-bromophenyl)-1-methyl-2,4-dioxo-7-pyrido[2,3-...)
Show SMILES COC(=O)c1cc(-c2ccc(Br)cc2)c2c(n1)n(C)c(=O)[nH]c2=O
Show InChI InChI=1S/C16H12BrN3O4/c1-20-13-12(14(21)19-16(20)23)10(7-11(18-13)15(22)24-2)8-3-5-9(17)6-4-8/h3-7H,1-2H3,(H,19,21,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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