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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 = 'BDBM110217'   
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))
BDBM110217
PNG
(US8618290, 35)
Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCC(CO)CO)=N1
Show InChI InChI=1S/C24H27FN6O4/c1-13-22-20(30-24(26)27-13)9-19(29-23(22)31-35-12-14(10-32)11-33)16-7-6-15(25)8-17(16)18-4-3-5-21(28-18)34-2/h3-8,14,19,32-33H,9-12H2,1-2H3,(H,29,31)(H2,26,27,30)/t19-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 13n/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