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SMILES: C[C@@H]1CN(CCO)CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2

InChI Key: InChIKey=KVCRXCKHFUBLBP-AEFFLSMTSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50349036   
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))		BDBM50349036
PNG
(CHEMBL1807795)
Show SMILES C[C@@H]1CN(CCO)CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2 |r|
Show InChI InChI=1S/C27H38N4O3/c1-16-15-30(10-11-32)9-8-22-17(2)25-23(13-27(4,5)14-24(25)33)31(22)19-6-7-20(26(28)34)21(12-19)29-18(16)3/h6-7,12,16,18,29,32H,8-11,13-15H2,1-5H3,(H2,28,34)/t16-,18+/m1/s1
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PubMed
n/an/a 84n/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