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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 = 'BDBM50343354'   
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))
BDBM50343354
PNG
(2-Amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)ph...)
Show SMILES Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1)C(=O)NC12CC(C1)C2 |(18.48,-15.32,;19.81,-14.55,;19.82,-13.01,;21.14,-12.24,;21.46,-10.74,;22.98,-10.57,;23.61,-11.97,;22.48,-13,;22.48,-14.55,;21.15,-15.33,;23.81,-15.32,;23.81,-16.86,;22.48,-17.63,;25.14,-17.63,;26.48,-16.86,;27.81,-17.62,;26.47,-15.31,;25.14,-14.55,;25.13,-13.01,;26.46,-12.23,;27.8,-13,;29.13,-12.22,;30.53,-12.84,;31.56,-11.69,;30.78,-10.36,;29.28,-10.68,;23.75,-9.23,;22.97,-7.9,;25.29,-9.23,;26.05,-7.89,;27.53,-7.49,;27.13,-6,;25.64,-6.41,;26.11,-6.64,)|
Show InChI InChI=1S/C23H23Cl2N7O2/c24-14-6-16(25)19(18(7-14)34-5-4-32-3-1-2-27-32)20-15-11-31(12-17(15)28-21(26)29-20)22(33)30-23-8-13(9-23)10-23/h1-3,6-7,13H,4-5,8-12H2,(H,30,33)(H2,26,28,29)
PDB
MMDB

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Reactome pathway
KEGG

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Article
PubMed
6n/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
More data for this
Ligand-Target Pair