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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 = 'BDBM50343385'   
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))
BDBM50343385
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)NC1CC(F)(F)C1 |(4.78,-16.81,;6.11,-16.04,;6.11,-14.5,;7.44,-13.73,;7.76,-12.23,;9.28,-12.06,;9.91,-13.46,;8.78,-14.49,;8.78,-16.04,;7.45,-16.82,;10.11,-16.81,;10.11,-18.35,;8.78,-19.12,;11.44,-19.12,;12.78,-18.35,;14.11,-19.11,;12.77,-16.8,;11.44,-16.04,;11.43,-14.5,;12.76,-13.72,;14.1,-14.49,;15.43,-13.71,;16.83,-14.33,;17.86,-13.18,;17.08,-11.85,;15.58,-12.17,;10.05,-10.72,;9.27,-9.39,;11.59,-10.72,;12.35,-9.38,;13.83,-8.98,;13.43,-7.49,;13.03,-6,;14.91,-7.09,;11.94,-7.9,)|
Show InChI InChI=1S/C22H21Cl2F2N7O2/c23-12-6-15(24)18(17(7-12)35-5-4-33-3-1-2-28-33)19-14-10-32(11-16(14)30-20(27)31-19)21(34)29-13-8-22(25,26)9-13/h1-3,6-7,13H,4-5,8-11H2,(H,29,34)(H2,27,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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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