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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 = 'BDBM110221'   
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))
BDBM110221
PNG
(US8618290, 58)
Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOC2C[C@H](O)[C@H](O)C2)=N1
Show InChI InChI=1S/C25H27FN6O4/c1-12-23-19(31-25(27)28-12)11-18(30-24(23)32-36-14-9-20(33)21(34)10-14)15-7-6-13(26)8-16(15)17-4-3-5-22(29-17)35-2/h3-8,14,18,20-21,33-34H,9-11H2,1-2H3,(H,30,32)(H2,27,28,31)/t14?,18-,20-,21+/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 5n/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