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SMILES: COc1cc(C)c(cc1C(=O)Nc1cccc(n1)-n1nnnc1C(C)C)-c1cnn(c1)C1CC1

InChI Key: InChIKey=WVTMTNHZMQKSBW-UHFFFAOYSA-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 = 497490   
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))		BDBM497490
PNG
(US11008304, Example 76)
Show SMILES COc1cc(C)c(cc1C(=O)Nc1cccc(n1)-n1nnnc1C(C)C)-c1cnn(c1)C1CC1
Show InChI InChI=1S/C24H26N8O2/c1-14(2)23-28-29-30-32(23)22-7-5-6-21(26-22)27-24(33)19-11-18(15(3)10-20(19)34-4)16-12-25-31(13-16)17-8-9-17/h5-7,10-14,17H,8-9H2,1-4H3,(H,26,27,33)
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The ability (IC50) of compounds to inhibit ASK1 kinase activity was determined by HTRF® KinEASE™ Assay System. ASK1 was purchased from Thermofisher (...

US Patent US11008304 (2021)


BindingDB Entry DOI: 10.7270/Q2D50R3H
More data for this
Ligand-Target Pair