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SMILES: CSc1nc(-c2ccc(F)cc2C)c2c(c[nH]c2n1)C(N)=O

InChI Key: InChIKey=TWRQOCPISHVMLI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50394071   
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-beta


(Homo sapiens (Human))		BDBM50394071
PNG
(CHEMBL2158620)
Show SMILES CSc1nc(-c2ccc(F)cc2C)c2c(c[nH]c2n1)C(N)=O
Show InChI InChI=1S/C15H13FN4OS/c1-7-5-8(16)3-4-9(7)12-11-10(13(17)21)6-18-14(11)20-15(19-12)22-2/h3-6H,1-2H3,(H2,17,21)(H,18,19,20)
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>2.00E+5n/an/an/an/an/an/an/an/a



Vernalis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay

Bioorg Med Chem 20: 6770-89 (2012)


Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4
More data for this
Ligand-Target Pair