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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'HIV-1 B HXB2-LAI-IIIB-BRU' and Ligand = 'BDBM66673'   
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
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM66673
PNG
(2-amino-6-(4-chlorophenyl)sulfanyl-4-(4-methoxyphe...)
Show SMILES COc1ccc(cc1)-c1c(C#N)c(N)nc(Sc2ccc(Cl)cc2)c1C#N
Show InChI InChI=1S/C20H13ClN4OS/c1-26-14-6-2-12(3-7-14)18-16(10-22)19(24)25-20(17(18)11-23)27-15-8-4-13(21)5-9-15/h2-9H,1H3,(H2,24,25)
PDB

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n/an/a 4.38E+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
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM66673
PNG
(2-amino-6-(4-chlorophenyl)sulfanyl-4-(4-methoxyphe...)
Show SMILES COc1ccc(cc1)-c1c(C#N)c(N)nc(Sc2ccc(Cl)cc2)c1C#N
Show InChI InChI=1S/C20H13ClN4OS/c1-26-14-6-2-12(3-7-14)18-16(10-22)19(24)25-20(17(18)11-23)27-15-8-4-13(21)5-9-15/h2-9H,1H3,(H2,24,25)
PDB

UniProtKB/SwissProt

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PC sid
UniChem
PCBioAssay
n/an/a 4.87E+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
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM66673
PNG
(2-amino-6-(4-chlorophenyl)sulfanyl-4-(4-methoxyphe...)
Show SMILES COc1ccc(cc1)-c1c(C#N)c(N)nc(Sc2ccc(Cl)cc2)c1C#N
Show InChI InChI=1S/C20H13ClN4OS/c1-26-14-6-2-12(3-7-14)18-16(10-22)19(24)25-20(17(18)11-23)27-15-8-4-13(21)5-9-15/h2-9H,1H3,(H2,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 8.49E+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/Q2KD1WJB
More data for this
Ligand-Target Pair