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SMILES: Cc1cc(NS(=O)(=O)c2ccccc2Cl)ccc1\C=C\c1cnc(NC2CC[C@H](N)CC2)nc1

InChI Key:

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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 = 661997   
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
Serine/threonine-protein kinase/endoribonuclease IRE1


(Homo sapiens (Human))		BDBM661997
PNG
(N-(4-((E)-2-(2-(((1r,4r)-4- aminocyclohexyl)amino)...)
Show SMILES Cc1cc(NS(=O)(=O)c2ccccc2Cl)ccc1\C=C\c1cnc(NC2CC[C@H](N)CC2)nc1 |r,wD:28.30,(-.67,1.54,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-7.34,.77,;-8.11,-.56,;-6.57,-.56,;-8.67,1.54,;-10,.77,;-11.34,1.54,;-11.34,3.08,;-10,3.85,;-8.67,3.08,;-7.34,3.85,;-4.67,-.77,;-3.33,-1.54,;-2,-.77,;-.67,-1.54,;.67,-.77,;2,-1.54,;2,-3.08,;3.33,-3.85,;4.67,-3.08,;6,-3.85,;7.34,-3.08,;7.34,-1.54,;8.67,-.77,;10,-1.54,;11.34,-.77,;10,-3.08,;8.67,-3.85,;4.67,-1.54,;3.33,-.77,)|
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n/an/a<1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair