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SMILES: Cc1c2CCC(=O)N3CCC[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12

InChI Key: InChIKey=CQXLACSOWMIHAJ-QGZVFWFLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50345164   
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))		BDBM50345164
PNG
(CHEMBL1779544)
Show SMILES Cc1c2CCC(=O)N3CCC[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Show InChI InChI=1S/C26H32N4O3/c1-15-20-8-9-23(32)29-10-4-5-17(29)14-28-19-11-16(6-7-18(19)25(27)33)30(20)21-12-26(2,3)13-22(31)24(15)21/h6-7,11,17,28H,4-5,8-10,12-14H2,1-3H3,(H2,27,33)/t17-/m1/s1
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n/an/a 188n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HSP90alpha after 3 hrs by fluorescence polarization binding assay

Bioorg Med Chem Lett 21: 3627-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.102
BindingDB Entry DOI: 10.7270/Q2VX0GVP
More data for this
Ligand-Target Pair