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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 = 'BDBM50343386'   
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))
BDBM50343386
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)NCC(F)F |(34.26,-15.88,;35.59,-15.11,;35.59,-13.56,;36.92,-12.79,;37.23,-11.29,;38.76,-11.12,;39.39,-12.52,;38.25,-13.55,;38.26,-15.11,;36.92,-15.88,;39.59,-15.87,;39.59,-17.41,;38.25,-18.19,;40.92,-18.18,;42.26,-17.41,;43.59,-18.18,;42.25,-15.86,;40.91,-15.1,;40.91,-13.56,;42.24,-12.79,;43.57,-13.55,;44.9,-12.77,;46.31,-13.39,;47.34,-12.24,;46.56,-10.91,;45.06,-11.24,;39.53,-9.78,;38.75,-8.45,;41.07,-9.78,;41.83,-8.44,;43.37,-8.43,;44.13,-7.1,;44.15,-9.77,)|
Show InChI InChI=1S/C20H19Cl2F2N7O2/c21-11-6-13(22)17(15(7-11)33-5-4-31-3-1-2-27-31)18-12-9-30(20(32)26-8-16(23)24)10-14(12)28-19(25)29-18/h1-3,6-7,16H,4-5,8-10H2,(H,26,32)(H2,25,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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Article
PubMed
9n/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