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BDBM110219 US8618290, 40

SMILES: COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOC[C@H]2COCCO2)=N1

InChI Key: InChIKey=GMLHGWKKTXOMCZ-OXQOHEQNSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 110219   
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))
BDBM110219
PNG
(US8618290, 40)
Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOC[C@H]2COCCO2)=N1
Show InChI InChI=1S/C25H27FN6O4/c1-14-23-21(31-25(27)28-14)11-20(30-24(23)32-36-13-16-12-34-8-9-35-16)17-7-6-15(26)10-18(17)19-4-3-5-22(29-19)33-2/h3-7,10,16,20H,8-9,11-13H2,1-2H3,(H,30,32)(H2,27,28,31)/t16-,20-/m1/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 10n/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