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SMILES: CC(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=ZRAYVGSXRWTSBW-QZXAKIBKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50349054   
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))		BDBM50349054
PNG
(CHEMBL1807813)
Show SMILES CC(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/C30H42N4O4/c1-16(2)27(36)29(38)33-11-10-23-18(4)26-24(13-30(6,7)14-25(26)35)34(23)20-8-9-21(28(31)37)22(12-20)32-19(5)17(3)15-33/h8-9,12,16-17,19,27,32,36H,10-11,13-15H2,1-7H3,(H2,31,37)/t17-,19+,27+/m1/s1
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PubMed
n/an/a 91n/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