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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endoplasmin/Heat shock protein 75/Heat shock protein HSP 90-alpha/Heat shock protein HSP 90-beta' and Ligand = 'BDBM265320'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Endoplasmin/Heat shock protein 75/Heat shock protein HSP 90-alpha/Heat shock protein HSP 90-beta


(Homo sapiens (Human)-Alligator mississippiensis (A...)		BDBM265320
PNG
(US10413550, Example 75v | US11234987, Example 75v ...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(-c2c(C)noc2C)c(O)cc1O |(6.2,-6.76,;5.43,-5.43,;3.89,-5.43,;3.12,-4.1,;3.89,-2.76,;1.58,-4.1,;.67,-5.34,;-.79,-4.87,;-.79,-3.33,;.67,-2.85,;1.07,-1.36,;2.56,-.97,;2.95,.52,;1.87,1.61,;2.26,3.1,;1.18,4.19,;1.57,5.68,;.49,6.76,;-1,6.37,;-1.4,4.88,;-.31,3.79,;.38,1.21,;-.02,-.27,;-2.13,-2.56,;-2.13,-1.02,;-3.46,-.25,;-3.46,1.29,;-4.71,2.2,;-6.2,1.8,;-4.23,3.66,;-2.69,3.66,;-2.22,2.2,;-.73,1.8,;-4.8,-1.02,;-6.13,-.25,;-4.8,-2.56,;-3.46,-3.33,;-3.46,-4.87,)|
Show InChI InChI=1S/C29H32N4O5/c1-4-30-29(36)27-26(20-10-8-19(9-11-20)16-33-12-6-5-7-13-33)28(38-32-27)22-14-21(23(34)15-24(22)35)25-17(2)31-37-18(25)3/h8-11,14-15,34-35H,4-7,12-13,16H2,1-3H3,(H,30,36)
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US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
 (1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...

US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair