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SMILES: COCCC(=O)N1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@@H](C)[C@H](C)C1)c2

InChI Key: InChIKey=YCWFAWGWYOUCKZ-MJGOQNOKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50349044   
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))		BDBM50349044
PNG
(CHEMBL1807803)
Show SMILES COCCC(=O)N1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@@H](C)[C@H](C)C1)c2 |r|
Show InChI InChI=1S/C29H40N4O4/c1-17-16-32(26(35)10-12-37-6)11-9-23-18(2)27-24(14-29(4,5)15-25(27)34)33(23)20-7-8-21(28(30)36)22(13-20)31-19(17)3/h7-8,13,17,19,31H,9-12,14-16H2,1-6H3,(H2,30,36)/t17-,19+/m1/s1
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PubMed
n/an/a 83n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 21: 4602-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5
More data for this
Ligand-Target Pair