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SMILES: CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(C3CC3NC(=O)N(C)CCC(F)(F)F)c(C)cc2F)n1

InChI Key: InChIKey=DILYEUDYHOWSQE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 490090   
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))		BDBM490090
PNG
(US10968199, Example 13)
Show SMILES CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(C3CC3NC(=O)N(C)CCC(F)(F)F)c(C)cc2F)n1
Show InChI InChI=1S/C26H29F4N7O2/c1-14(2)37-13-31-35-23(37)20-6-5-7-22(32-20)34-24(38)18-11-16(15(3)10-19(18)27)17-12-21(17)33-25(39)36(4)9-8-26(28,29)30/h5-7,10-11,13-14,17,21H,8-9,12H2,1-4H3,(H,33,39)(H,32,34,38)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>10n/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