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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 = 'BDBM42302'   
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...)
BDBM42302
PNG
(MLS000041013 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Show SMILES Cc1nc(SCC(=O)Nc2ccc3OCCOc3c2)c2oc3ccccc3c2n1
Show InChI InChI=1S/C21H17N3O4S/c1-12-22-19-14-4-2-3-5-15(14)28-20(19)21(23-12)29-11-18(25)24-13-6-7-16-17(10-13)27-9-8-26-16/h2-7,10H,8-9,11H2,1H3,(H,24,25)
PDB

UniProtKB/SwissProt

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PCBioAssay
n/an/a 1.39E+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...)
BDBM42302
PNG
(MLS000041013 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Show SMILES Cc1nc(SCC(=O)Nc2ccc3OCCOc3c2)c2oc3ccccc3c2n1
Show InChI InChI=1S/C21H17N3O4S/c1-12-22-19-14-4-2-3-5-15(14)28-20(19)21(23-12)29-11-18(25)24-13-6-7-16-17(10-13)27-9-8-26-16/h2-7,10H,8-9,11H2,1H3,(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.71E+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
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM42302
PNG
(MLS000041013 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Show SMILES Cc1nc(SCC(=O)Nc2ccc3OCCOc3c2)c2oc3ccccc3c2n1
Show InChI InChI=1S/C21H17N3O4S/c1-12-22-19-14-4-2-3-5-15(14)28-20(19)21(23-12)29-11-18(25)24-13-6-7-16-17(10-13)27-9-8-26-16/h2-7,10H,8-9,11H2,1H3,(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.84E+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