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SMILES: CC(C)Oc1cc2C(=O)N(Cc2cc1C)c1cccc(n1)-c1nnnn1[C@H](C)CO

InChI Key: InChIKey=DYNQJAPYIOOTEG-CQSZACIVSA-N

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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 = 437775   
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))		BDBM437775
PNG
(US10597382, Example 14)
Show SMILES CC(C)Oc1cc2C(=O)N(Cc2cc1C)c1cccc(n1)-c1nnnn1[C@H](C)CO |r|
Show InChI InChI=1S/C21H24N6O3/c1-12(2)30-18-9-16-15(8-13(18)3)10-26(21(16)29)19-7-5-6-17(22-19)20-23-24-25-27(20)14(4)11-28/h5-9,12,14,28H,10-11H2,1-4H3/t14-/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 kinase was from Thermofisher (Catalogue # PV4011), ATP was from Sigma (Catalogue # A7699), HTRF KinEASE Assay System was obtained from Cisbio (B...

US Patent US10597382 (2020)


BindingDB Entry DOI: 10.7270/Q26W9F3K
More data for this
Ligand-Target Pair