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BDBM50480375 CHEMBL564211

SMILES: Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(N[C@H]2CC[C@H](O)CC2)c1

InChI Key: InChIKey=FMOSGTTYAFQMSD-KOMQPUFPSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50480375   
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/90-beta


(Homo sapiens (Human))		BDBM50480375
PNG
(CHEMBL564211)
Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:22.23,wD:25.27,(34.41,-41.32,;33.78,-39.91,;32.27,-39.59,;32.11,-38.07,;33.52,-37.43,;33.98,-35.97,;35.49,-35.66,;35.48,-34.11,;36.57,-34.55,;36.52,-36.8,;36.04,-38.26,;37.07,-39.4,;34.54,-38.58,;30.77,-37.3,;29.44,-38.07,;28.11,-37.3,;28.11,-35.76,;26.77,-34.99,;25.44,-35.76,;26.77,-33.45,;29.43,-34.99,;29.43,-33.45,;30.76,-32.67,;30.75,-31.14,;32.09,-30.36,;33.42,-31.13,;34.76,-30.36,;33.42,-32.68,;32.09,-33.44,;30.77,-35.75,)|
Show InChI InChI=1S/C23H30N4O3/c1-13-21-19(11-23(2,3)12-20(21)29)27(26-13)15-6-9-17(22(24)30)18(10-15)25-14-4-7-16(28)8-5-14/h6,9-10,14,16,25,28H,4-5,7-8,11-12H2,1-3H3,(H2,24,30)/t14-,16-
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PC cid
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n/an/a 3.00E+4n/an/an/an/an/an/a



Serenex Inc

Curated by ChEMBL


Assay Description
Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening

J Med Chem 52: 4288-305 (2009)


Article DOI: 10.1021/jm900230j
BindingDB Entry DOI: 10.7270/Q2MK6GQJ
More data for this
Ligand-Target Pair