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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 = 'BDBM32382'   
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))
BDBM32382
PNG
(adenosine-derived inhibitor, 16)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C(F)(F)F)[C@@H](O)[C@H]3O)c(NCc3ccc4ncccc4c3)nc12 |r|
Show InChI InChI=1S/C28H26F3N7O4/c29-28(30,31)18-6-3-15(4-7-18)12-41-13-20-22(39)23(40)26(42-20)38-25-21(24(32)35-14-36-25)37-27(38)34-11-16-5-8-19-17(10-16)2-1-9-33-19/h1-10,14,20,22-23,26,39-40H,11-13H2,(H,34,37)(H2,32,35,36)/t20-,22-,23-,26-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/an/an/an/a7.423



Vernalis (R&D) Ltd.



Assay Description
A fluorescein-labeled ATP-based probe was utilized, which binds to the GST fused ATPase domain (amino acids 3-383) of HSP70, producing an increase in...


J Med Chem 52: 1510-3 (2009)


Article DOI: 10.1021/jm801627a
BindingDB Entry DOI: 10.7270/Q29S1PDC
More data for this
Ligand-Target Pair
Heat shock 70 kDa protein 1A


(Homo sapiens (Human))
BDBM32382
PNG
(adenosine-derived inhibitor, 16)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C(F)(F)F)[C@@H](O)[C@H]3O)c(NCc3ccc4ncccc4c3)nc12 |r|
Show InChI InChI=1S/C28H26F3N7O4/c29-28(30,31)18-6-3-15(4-7-18)12-41-13-20-22(39)23(40)26(42-20)38-25-21(24(32)35-14-36-25)37-27(38)34-11-16-5-8-19-17(10-16)2-1-9-33-19/h1-10,14,20,22-23,26,39-40H,11-13H2,(H,34,37)(H2,32,35,36)/t20-,22-,23-,26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 60n/an/an/a7.425



Vernalis (R&D) Ltd.



Assay Description
All experiments were performed on a Biacore T100 at 25 deg C with a flow rate of 30 uL per minute. Double His-tagged HSP70 was immobilised on the sur...


J Med Chem 52: 1510-3 (2009)


Article DOI: 10.1021/jm801627a
BindingDB Entry DOI: 10.7270/Q29S1PDC
More data for this
Ligand-Target Pair