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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 = 'BDBM110222'   
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))
BDBM110222
PNG
(US8618290, 59)
Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCC2C[C@H](O)[C@H](O)C2)=N1
Show InChI InChI=1S/C26H29FN6O4/c1-13-24-20(32-26(28)29-13)11-19(31-25(24)33-37-12-14-8-21(34)22(35)9-14)16-7-6-15(27)10-17(16)18-4-3-5-23(30-18)36-2/h3-7,10,14,19,21-22,34-35H,8-9,11-12H2,1-2H3,(H,31,33)(H2,28,29,32)/t14?,19-,21-,22+/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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