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SMILES: COc1ccc(cc1)-c1c(NC(C)=O)onc1-c1cc(c(O)cc1O)C(C)(C)C

InChI Key: InChIKey=CFIHEEUEECLNIB-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50030848   
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))		BDBM50030848
PNG
(CHEMBL3342596)
Show SMILES COc1ccc(cc1)-c1c(NC(C)=O)onc1-c1cc(c(O)cc1O)C(C)(C)C
Show InChI InChI=1S/C22H24N2O5/c1-12(25)23-21-19(13-6-8-14(28-5)9-7-13)20(24-29-21)15-10-16(22(2,3)4)18(27)11-17(15)26/h6-11,26-27H,1-5H3,(H,23,25)
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MMDB

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Similars
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay

Eur J Med Chem 87: 765-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV
More data for this
Ligand-Target Pair