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SMILES: CCNC(=O)c1noc(c1NC(=O)c1oc2ccc(OC)cc2c1C)-c1cc(C(C)C)c(O)cc1O

InChI Key: InChIKey=DROWHHVGEAPFRC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50361722   
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-beta


(Homo sapiens (Human))		BDBM50361722
PNG
(CHEMBL1941071)
Show SMILES CCNC(=O)c1noc(c1NC(=O)c1oc2ccc(OC)cc2c1C)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C26H27N3O7/c1-6-27-25(32)22-21(24(36-29-22)17-10-15(12(2)3)18(30)11-19(17)31)28-26(33)23-13(4)16-9-14(34-5)7-8-20(16)35-23/h7-12,30-31H,6H2,1-5H3,(H,27,32)(H,28,33)
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Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay

J Med Chem 54: 8592-604 (2011)


Article DOI: 10.1021/jm201155e
BindingDB Entry DOI: 10.7270/Q2QF8T9M
More data for this
Ligand-Target Pair