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SMILES: CNC(=O)[C@@H]1CCc2cc(Nc3ncc4cc(F)c(cc4n3)-c3cnc4OCCNc4c3C)ccc12

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 548722   
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 kinase 1


(Homo sapiens (Human))		BDBM548722
PNG
(WO2022098806, Compound 1-118)
Show SMILES CNC(=O)[C@@H]1CCc2cc(Nc3ncc4cc(F)c(cc4n3)-c3cnc4OCCNc4c3C)ccc12 |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022098806
n/an/a 0.0400n/an/an/an/an/an/a


TBA

Assay Description
 To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KH0RJB
More data for this
Ligand-Target Pair