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SMILES: C[C@@H]1CN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2)C(=O)C1(N)CCCC1

InChI Key: InChIKey=OQCZXOJFRLBCCF-QUCCMNQESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50349049   
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))		BDBM50349049
PNG
(CHEMBL1807809)
Show SMILES C[C@@H]1CN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2)C(=O)C1(N)CCCC1 |r|
Show InChI InChI=1S/C31H43N5O3/c1-18-17-35(29(39)31(33)11-6-7-12-31)13-10-24-19(2)27-25(15-30(4,5)16-26(27)37)36(24)21-8-9-22(28(32)38)23(14-21)34-20(18)3/h8-9,14,18,20,34H,6-7,10-13,15-17,33H2,1-5H3,(H2,32,38)/t18-,20+/m1/s1
PDB
MMDB

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KEGG

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PubMed
n/an/a 83n/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