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SMILES: COc1cc(C)c(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)C1CC1C(=O)N1CCC(F)(F)C1

InChI Key: InChIKey=JPYGIFCMBPRDAZ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 490095   
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))		BDBM490095
PNG
(US10968199, Example 16)
Show SMILES COc1cc(C)c(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)C1CC1C(=O)N1CCC(F)(F)C1
Show InChI InChI=1S/C27H30F2N6O3/c1-15(2)35-14-30-33-24(35)21-6-5-7-23(31-21)32-25(36)20-11-17(16(3)10-22(20)38-4)18-12-19(18)26(37)34-9-8-27(28,29)13-34/h5-7,10-11,14-15,18-19H,8-9,12-13H2,1-4H3,(H,31,32,36)
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