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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 = 'BDBM48988'   
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...)
BDBM48988
PNG
(8-[(1-Cyclopentyl-1H-tetrazol-5-yl)-thiomorpholin-...)
Show SMILES O=c1[nH]c2cc3OCCOc3cc2cc1C(N1CCSCC1)c1nnnn1C1CCCC1
Show InChI InChI=1S/C22H26N6O3S/c29-22-16(11-14-12-18-19(13-17(14)23-22)31-8-7-30-18)20(27-5-9-32-10-6-27)21-24-25-26-28(21)15-3-1-2-4-15/h11-13,15,20H,1-10H2,(H,23,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.79E+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...)
BDBM48988
PNG
(8-[(1-Cyclopentyl-1H-tetrazol-5-yl)-thiomorpholin-...)
Show SMILES O=c1[nH]c2cc3OCCOc3cc2cc1C(N1CCSCC1)c1nnnn1C1CCCC1
Show InChI InChI=1S/C22H26N6O3S/c29-22-16(11-14-12-18-19(13-17(14)23-22)31-8-7-30-18)20(27-5-9-32-10-6-27)21-24-25-26-28(21)15-3-1-2-4-15/h11-13,15,20H,1-10H2,(H,23,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.99E+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...)
BDBM48988
PNG
(8-[(1-Cyclopentyl-1H-tetrazol-5-yl)-thiomorpholin-...)
Show SMILES O=c1[nH]c2cc3OCCOc3cc2cc1C(N1CCSCC1)c1nnnn1C1CCCC1
Show InChI InChI=1S/C22H26N6O3S/c29-22-16(11-14-12-18-19(13-17(14)23-22)31-8-7-30-18)20(27-5-9-32-10-6-27)21-24-25-26-28(21)15-3-1-2-4-15/h11-13,15,20H,1-10H2,(H,23,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.63E+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