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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 = 'BDBM95295'   
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...)
BDBM95295
PNG
((4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)m...)
Show SMILES Fc1ccccc1C1C(C(=O)c2ccc3OCCOc3c2)C(=O)C(=O)N1Cc1ccncc1
Show InChI InChI=1S/C25H19FN2O5/c26-18-4-2-1-3-17(18)22-21(23(29)16-5-6-19-20(13-16)33-12-11-32-19)24(30)25(31)28(22)14-15-7-9-27-10-8-15/h1-10,13,21-22H,11-12,14H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.34E+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...)
BDBM95295
PNG
((4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)m...)
Show SMILES Fc1ccccc1C1C(C(=O)c2ccc3OCCOc3c2)C(=O)C(=O)N1Cc1ccncc1
Show InChI InChI=1S/C25H19FN2O5/c26-18-4-2-1-3-17(18)22-21(23(29)16-5-6-19-20(13-16)33-12-11-32-19)24(30)25(31)28(22)14-15-7-9-27-10-8-15/h1-10,13,21-22H,11-12,14H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.82E+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...)
BDBM95295
PNG
((4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)m...)
Show SMILES Fc1ccccc1C1C(C(=O)c2ccc3OCCOc3c2)C(=O)C(=O)N1Cc1ccncc1
Show InChI InChI=1S/C25H19FN2O5/c26-18-4-2-1-3-17(18)22-21(23(29)16-5-6-19-20(13-16)33-12-11-32-19)24(30)25(31)28(22)14-15-7-9-27-10-8-15/h1-10,13,21-22H,11-12,14H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.25E+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