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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Heat shock 70 kDa protein 1A' and Ligand = 'BDBM31697'   
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
Heat shock 70 kDa protein 1A


(Homo sapiens (Human))
BDBM31697
PNG
(4-[4-[2-(4-methylphenoxy)ethyl]-1-piperazinyl]-N-(...)
Show SMILES Cc1nnc(NC(=O)CCC(=O)N2CCN(CCOc3ccc(C)cc3)CC2)s1
Show InChI InChI=1S/C20H27N5O3S/c1-15-3-5-17(6-4-15)28-14-13-24-9-11-25(12-10-24)19(27)8-7-18(26)21-20-23-22-16(2)29-20/h3-6H,7-14H2,1-2H3,(H,21,23,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2RF5SF5
More data for this
Ligand-Target Pair
Heat shock 70 kDa protein 1A


(Homo sapiens (Human))
BDBM31697
PNG
(4-[4-[2-(4-methylphenoxy)ethyl]-1-piperazinyl]-N-(...)
Show SMILES Cc1nnc(NC(=O)CCC(=O)N2CCN(CCOc3ccc(C)cc3)CC2)s1
Show InChI InChI=1S/C20H27N5O3S/c1-15-3-5-17(6-4-15)28-14-13-24-9-11-25(12-10-24)19(27)8-7-18(26)21-20-23-22-16(2)29-20/h3-6H,7-14H2,1-2H3,(H,21,23,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.00E+5n/an/an/an/a7.023



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S180TW
More data for this
Ligand-Target Pair