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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 = 'BDBM152280'   
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))
BDBM152280
PNG
(US8993556, 3-{2-[4-(Dimethylamino)phenoxy]-4,6-dih...)
Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(on2)C(=O)NC2CCN(C)CC2)cc1
Show InChI InChI=1S/C24H28N4O5/c1-27(2)16-4-6-18(7-5-16)32-21-13-17(29)12-20(30)23(21)19-14-22(33-26-19)24(31)25-15-8-10-28(3)11-9-15/h4-7,12-15,29-30H,8-11H2,1-3H3,(H,25,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/a 0.0660n/an/an/a7.6n/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The evaluation of the binding affinity (KD) of the compounds of formula (I) to the HSP90 protein was done using Biacore T100.His-HSP90 N-term domain ...


US Patent US8993556 (2015)


BindingDB Entry DOI: 10.7270/Q2Q81BSQ
More data for this
Ligand-Target Pair