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BDBM110230 US8618290, 93

SMILES: COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NO[C@@H](CCO)C(=O)N(C)C)=N1

InChI Key: InChIKey=DRQRNJQGXVDZBU-CTNGQTDRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 110230   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM110230
PNG
(US8618290, 93)
Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NO[C@@H](CCO)C(=O)N(C)C)=N1
Show InChI InChI=1S/C26H30FN7O4/c1-14-23-20(32-26(28)29-14)13-19(31-24(23)33-38-21(10-11-35)25(36)34(2)3)16-9-8-15(27)12-17(16)18-6-5-7-22(30-18)37-4/h5-9,12,19,21,35H,10-11,13H2,1-4H3,(H,31,33)(H2,28,29,32)/t19-,21+/m1/s1
PDB
MMDB

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Similars

US Patent
n/an/a 8n/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