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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 = 'BDBM110218'   
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))
BDBM110218
PNG
(US8618290, 37)
Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCC[C@H](C)CO)=N1
Show InChI InChI=1S/C25H29FN6O3/c1-14(13-33)9-10-35-32-24-23-15(2)28-25(27)31-21(23)12-20(30-24)17-8-7-16(26)11-18(17)19-5-4-6-22(29-19)34-3/h4-8,11,14,20,33H,9-10,12-13H2,1-3H3,(H,30,32)(H2,27,28,31)/t14-,20+/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 6n/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