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BDBM110232 US8618290, 99

SMILES: COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCC(=O)N(C)CCO)=N1

InChI Key: InChIKey=CCQORNKANBXTKK-LJQANCHMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 110232   
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))
BDBM110232
PNG
(US8618290, 99)
Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCC(=O)N(C)CCO)=N1
Show InChI InChI=1S/C25H28FN7O4/c1-14-23-20(31-25(27)28-14)12-19(30-24(23)32-37-13-22(35)33(2)9-10-34)16-8-7-15(26)11-17(16)18-5-4-6-21(29-18)36-3/h4-8,11,19,34H,9-10,12-13H2,1-3H3,(H,30,32)(H2,27,28,31)/t19-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

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