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BDBM110231 US8618290, 96

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

InChI Key: InChIKey=UBJFIHSNPQDFPD-OXJNMPFZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 110231   
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))
BDBM110231
PNG
(US8618290, 96)
Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCC(=O)N(C)C[C@H](O)CO)=N1
Show InChI InChI=1S/C26H30FN7O5/c1-14-24-21(32-26(28)29-14)10-20(31-25(24)33-39-13-23(37)34(2)11-16(36)12-35)17-8-7-15(27)9-18(17)19-5-4-6-22(30-19)38-3/h4-9,16,20,35-36H,10-13H2,1-3H3,(H,31,33)(H2,28,29,32)/t16-,20+/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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AffyNet 
PC cid
PC sid
UniChem

Similars

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