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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 = 'BDBM95261'   
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...)
BDBM95261
PNG
(2-(3-Cyano-4-methoxymethyl-6-methyl-2-oxo-2H-pyrid...)
Show SMILES COCc1cc(C)n(CC(=O)Nc2ccc(Cl)cc2Cl)c(=O)c1C#N
Show InChI InChI=1S/C17H15Cl2N3O3/c1-10-5-11(9-25-2)13(7-20)17(24)22(10)8-16(23)21-15-4-3-12(18)6-14(15)19/h3-6H,8-9H2,1-2H3,(H,21,23)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.38E+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...)
BDBM95261
PNG
(2-(3-Cyano-4-methoxymethyl-6-methyl-2-oxo-2H-pyrid...)
Show SMILES COCc1cc(C)n(CC(=O)Nc2ccc(Cl)cc2Cl)c(=O)c1C#N
Show InChI InChI=1S/C17H15Cl2N3O3/c1-10-5-11(9-25-2)13(7-20)17(24)22(10)8-16(23)21-15-4-3-12(18)6-14(15)19/h3-6H,8-9H2,1-2H3,(H,21,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.57E+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...)
BDBM95261
PNG
(2-(3-Cyano-4-methoxymethyl-6-methyl-2-oxo-2H-pyrid...)
Show SMILES COCc1cc(C)n(CC(=O)Nc2ccc(Cl)cc2Cl)c(=O)c1C#N
Show InChI InChI=1S/C17H15Cl2N3O3/c1-10-5-11(9-25-2)13(7-20)17(24)22(10)8-16(23)21-15-4-3-12(18)6-14(15)19/h3-6H,8-9H2,1-2H3,(H,21,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.10E+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