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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 = 'BDBM95257'   
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...)
BDBM95257
PNG
(MLS000566665 | N-(5-benzylsulfanyl-1,3,4-thiadiazo...)
Show SMILES O=C(Nc1nnc(SCc2ccccc2)s1)c1cc2CCCCc2s1
Show InChI InChI=1S/C18H17N3OS3/c22-16(15-10-13-8-4-5-9-14(13)24-15)19-17-20-21-18(25-17)23-11-12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11H2,(H,19,20,22)
PDB

UniProtKB/SwissProt

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PC sid
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PCBioAssay
n/an/a 1.10E+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/Q2FN14T0
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95257
PNG
(MLS000566665 | N-(5-benzylsulfanyl-1,3,4-thiadiazo...)
Show SMILES O=C(Nc1nnc(SCc2ccccc2)s1)c1cc2CCCCc2s1
Show InChI InChI=1S/C18H17N3OS3/c22-16(15-10-13-8-4-5-9-14(13)24-15)19-17-20-21-18(25-17)23-11-12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11H2,(H,19,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.34E+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...)
BDBM95257
PNG
(MLS000566665 | N-(5-benzylsulfanyl-1,3,4-thiadiazo...)
Show SMILES O=C(Nc1nnc(SCc2ccccc2)s1)c1cc2CCCCc2s1
Show InChI InChI=1S/C18H17N3OS3/c22-16(15-10-13-8-4-5-9-14(13)24-15)19-17-20-21-18(25-17)23-11-12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11H2,(H,19,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.45E+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