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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 = 'BDBM50343384'   
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))
BDBM50343384
PNG
(4-(2-(2-(1H-pyrazol-1-yl)ethoxy)-4,6-dichloropheny...)
Show SMILES Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1)C(=O)NC1CC1 |(-9,-15.24,;-7.66,-14.47,;-7.66,-12.92,;-6.33,-12.15,;-6.02,-10.65,;-4.49,-10.48,;-3.86,-11.88,;-5,-12.92,;-4.99,-14.47,;-6.33,-15.24,;-3.66,-15.23,;-3.66,-16.78,;-5,-17.55,;-2.33,-17.54,;-1,-16.77,;.34,-17.54,;-1,-15.22,;-2.34,-14.46,;-2.35,-12.92,;-1.01,-12.15,;.32,-12.91,;1.65,-12.13,;3.06,-12.75,;4.09,-11.6,;3.31,-10.27,;1.8,-10.6,;-3.73,-9.14,;-4.5,-7.81,;-2.19,-9.14,;-1.42,-7.8,;-.09,-7.02,;-1.43,-6.25,)|
Show InChI InChI=1S/C21H21Cl2N7O2/c22-12-8-15(23)18(17(9-12)32-7-6-30-5-1-4-25-30)19-14-10-29(21(31)26-13-2-3-13)11-16(14)27-20(24)28-19/h1,4-5,8-9,13H,2-3,6-7,10-11H2,(H,26,31)(H2,24,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
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UniChem

Patents

Article
PubMed
12n/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