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SMILES: Cc1c2CCCN3C[C@H](O)C[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12

InChI Key: InChIKey=IRRAGNCOBFDJHT-QZTJIDSGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50345158   
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))		BDBM50345158
PNG
(CHEMBL1779538)
Show SMILES Cc1c2CCCN3C[C@H](O)C[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Show InChI InChI=1S/C26H34N4O3/c1-15-21-5-4-8-29-14-18(31)9-17(29)13-28-20-10-16(6-7-19(20)25(27)33)30(21)22-11-26(2,3)12-23(32)24(15)22/h6-7,10,17-18,28,31H,4-5,8-9,11-14H2,1-3H3,(H2,27,33)/t17-,18-/m1/s1
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Similars
Article
PubMed
n/an/a 153n/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