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SMILES: COc1cc(Nc2cc(ccc2C(N)=O)-n2cc(C)c3c2CC(C)(C)CC3=O)cc(OC)c1OC

InChI Key: InChIKey=VLNRMTGHMZAMRZ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50480374   
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/90-beta


(Homo sapiens (Human))		BDBM50480374
PNG
(CHEMBL560955)
Show SMILES COc1cc(Nc2cc(ccc2C(N)=O)-n2cc(C)c3c2CC(C)(C)CC3=O)cc(OC)c1OC
Show InChI InChI=1S/C27H31N3O5/c1-15-14-30(20-12-27(2,3)13-21(31)24(15)20)17-7-8-18(26(28)32)19(11-17)29-16-9-22(33-4)25(35-6)23(10-16)34-5/h7-11,14,29H,12-13H2,1-6H3,(H2,28,32)
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n/an/a 46n/an/an/an/an/an/a



Serenex Inc

Curated by ChEMBL


Assay Description
Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening

J Med Chem 52: 4288-305 (2009)


Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ
More data for this
Ligand-Target Pair