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SMILES: COCCC(=O)N1CCCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@@H](C)[C@@H]1C)c2

InChI Key: InChIKey=RBWHSVCFANTGQI-OALUTQOASA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50349043   
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))		BDBM50349043
PNG
(CHEMBL1807802)
Show SMILES COCCC(=O)N1CCCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@@H](C)[C@@H]1C)c2 |r|
Show InChI InChI=1S/C29H40N4O4/c1-17-23-8-7-12-32(26(35)11-13-37-6)19(3)18(2)31-22-14-20(9-10-21(22)28(30)36)33(23)24-15-29(4,5)16-25(34)27(17)24/h9-10,14,18-19,31H,7-8,11-13,15-16H2,1-6H3,(H2,30,36)/t18-,19-/m0/s1
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Article
PubMed
n/an/a 131n/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