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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 = 'BDBM110220'   
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))
BDBM110220
PNG
(US8618290, 45)
Show SMILES CO[C@@H]1OC(CONC2=N[C@H](Cc3nc(N)nc(C)c23)c2ccc(F)cc2-c2cccc(OC)n2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C26H29FN6O6/c1-12-21-18(32-26(28)29-12)10-17(31-24(21)33-38-11-19-22(34)23(35)25(37-3)39-19)14-8-7-13(27)9-15(14)16-5-4-6-20(30-16)36-2/h4-9,17,19,22-23,25,34-35H,10-11H2,1-3H3,(H,31,33)(H2,28,29,32)/t17-,19?,22-,23-,25-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 10n/an/an/an/a7.3n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
An in vitro competition fluorescence polarization assay in which a test compound competes with a fluorescent probe for binding to the binding domain ...


US Patent US8618290 (2013)


BindingDB Entry DOI: 10.7270/Q2D50KM5
More data for this
Ligand-Target Pair