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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50343377'   
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 protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50343377
PNG
(2-Amino-4-[2,4-dichloro-6-(2-methoxyethoxy)phenyl]...)
Show SMILES COCCOc1cc(Cl)cc(Cl)c1-c1nc(N)nc2CN(Cc12)C(=O)NC1CCC1 |(16.73,-47.61,;15.39,-46.84,;14.06,-47.62,;12.72,-46.85,;11.39,-47.63,;11.4,-49.17,;12.73,-49.93,;12.74,-51.48,;14.08,-52.24,;11.41,-52.25,;10.07,-51.48,;8.74,-52.25,;10.07,-49.94,;8.75,-49.17,;7.41,-49.95,;6.08,-49.17,;4.74,-49.94,;6.08,-47.63,;7.41,-46.86,;7.72,-45.36,;9.25,-45.19,;9.88,-46.59,;8.74,-47.62,;10.01,-43.85,;9.24,-42.52,;11.55,-43.85,;12.32,-42.51,;13.8,-42.11,;13.39,-40.62,;11.9,-41.03,)|
Show InChI InChI=1S/C20H23Cl2N5O3/c1-29-5-6-30-16-8-11(21)7-14(22)17(16)18-13-9-27(10-15(13)25-19(23)26-18)20(28)24-12-3-2-4-12/h7-8,12H,2-6,9-10H2,1H3,(H,24,28)(H2,23,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
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Patents

Article
PubMed
120n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide from human his(6)-tagged HSP90alpha after 30 mins by scin...


J Med Chem 54: 3368-85 (2011)


Article DOI: 10.1021/jm200128m
BindingDB Entry DOI: 10.7270/Q2Z320M5
More data for this
Ligand-Target Pair