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SMILES: Oc1cc(O)c(cc1CCc1ccc(F)cc1)-n1c2ccccc2[nH]c1=O

InChI Key: InChIKey=AKMNJYONYWIXBC-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 225732   
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))		BDBM225732
PNG
(hsp90_25)
Show SMILES Oc1cc(O)c(cc1CCc1ccc(F)cc1)-n1c2ccccc2[nH]c1=O |(.22,-8.41,;.7,-6.94,;-.33,-5.8,;.14,-4.33,;-.89,-3.19,;1.65,-4.01,;2.68,-5.16,;2.2,-6.62,;3.23,-7.77,;2.76,-9.23,;3.79,-10.38,;5.3,-10.06,;6.33,-11.2,;5.85,-12.66,;6.88,-13.81,;4.34,-12.98,;3.31,-11.84,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)|
Show InChI InChI=1S/C21H17FN2O3/c22-15-9-6-13(7-10-15)5-8-14-11-18(20(26)12-19(14)25)24-17-4-2-1-3-16(17)23-21(24)27/h1-4,6-7,9-12,25-26H,5,8H2,(H,23,27)
PDB
MMDB

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PC cid
PC sid
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D3R
n/an/a 28.8n/an/an/an/an/an/a



D3R



Assay Description
FRET Assay 1

D3R 408: (2016)


BindingDB Entry DOI: 10.7270/Q2VX0FC0
More data for this
Ligand-Target Pair