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SMILES: C[C@@H]1Nc2cc(ccc2C(N)=O)-n2c3CC(C)(C)CC(=O)c3c(C)c2CCCN([C@H]1C)C(=O)CN

InChI Key: InChIKey=RGXUGCVLZOLOQG-IRXDYDNUSA-N

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50349039   
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))		BDBM50349039
PNG
(CHEMBL1807798)
Show SMILES C[C@@H]1Nc2cc(ccc2C(N)=O)-n2c3CC(C)(C)CC(=O)c3c(C)c2CCCN([C@H]1C)C(=O)CN |r|
Show InChI InChI=1S/C27H37N5O3/c1-15-21-7-6-10-31(24(34)14-28)17(3)16(2)30-20-11-18(8-9-19(20)26(29)35)32(21)22-12-27(4,5)13-23(33)25(15)22/h8-9,11,16-17,30H,6-7,10,12-14,28H2,1-5H3,(H2,29,35)/t16-,17-/m0/s1
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MMDB

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Similars
Article
PubMed
n/an/a 81n/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