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SMILES: CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCC(C)(C)CO3)cc1

InChI Key: InChIKey=FOACLFPMOSAAMH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 152281   
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))		BDBM152281
PNG
(US8993556, 5-{2-[4-(Dimethylamino)phenoxy]-4,6-dih...)
Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCC(C)(C)CO3)cc1
Show InChI InChI=1S/C34H44N4O7/c1-33(2)20-42-34(43-21-33)13-9-24(10-14-34)38-15-11-22(12-16-38)35-32(41)27-19-30(45-36-27)31-28(40)17-25(39)18-29(31)44-26-7-5-23(6-8-26)37(3)4/h5-8,17-19,22,24,39-40H,9-16,20-21H2,1-4H3,(H,35,41)
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MMDB

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Similars
US Patent
n/an/an/a 0.0800n/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