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SMILES: C[C@H](O)C(=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=WGTWKBHDMIJGNZ-NJAFHUGGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50349053   
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))		BDBM50349053
PNG
(CHEMBL1807812)
Show SMILES C[C@H](O)C(=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/C28H38N4O4/c1-15-14-31(27(36)18(4)33)10-9-22-16(2)25-23(12-28(5,6)13-24(25)34)32(22)19-7-8-20(26(29)35)21(11-19)30-17(15)3/h7-8,11,15,17-18,30,33H,9-10,12-14H2,1-6H3,(H2,29,35)/t15-,17+,18+/m1/s1
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n/an/a 183n/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