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SMILES: C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc(C3CC3NS(=O)(=O)CCC(F)(F)F)c(C)cc2F)n1

InChI Key: InChIKey=UHXMWIORJCYBIT-PCVOSPCESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 490116   
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
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM490116
PNG
(US10968199, Example 27)
Show SMILES C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc(C3CC3NS(=O)(=O)CCC(F)(F)F)c(C)cc2F)n1 |r|
Show InChI InChI=1S/C24H26F4N6O4S/c1-13-8-18(25)17(9-15(13)16-10-20(16)33-39(37,38)7-6-24(26,27)28)23(36)31-21-5-3-4-19(30-21)22-32-29-12-34(22)14(2)11-35/h3-5,8-9,12,14,16,20,33,35H,6-7,10-11H2,1-2H3,(H,30,31,36)/t14-,16?,20?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...

US Patent US10968199 (2021)


BindingDB Entry DOI: 10.7270/Q28W3HDS
More data for this
Ligand-Target Pair