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SMILES: CN1Cc2cc(Nc3ncc4c(N)c(F)c(c(Br)c4n3)-c3cnc4OCCNc4c3C)ccc2C2(CC2)C1

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 = 548850   
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))		BDBM548850
PNG
(WO2022098806, Compound 2-111)
Show SMILES CN1Cc2cc(Nc3ncc4c(N)c(F)c(c(Br)c4n3)-c3cnc4OCCNc4c3C)ccc2C2(CC2)C1 |(-1,-6.56,;-2.33,-5.79,;-2.33,-4.25,;-3.66,-3.48,;-3.66,-1.94,;-5,-1.17,;-5,.37,;-3.66,1.14,;-3.66,2.68,;-2.33,3.45,;-1,2.68,;.33,3.45,;.33,4.99,;1.67,2.68,;3,3.45,;1.67,1.14,;.33,.37,;.33,-1.17,;-1,1.14,;-2.33,.37,;3,.37,;4.33,1.14,;5.67,.37,;5.67,-1.17,;7,-1.94,;7,-3.48,;5.67,-4.25,;4.34,-3.48,;4.33,-1.94,;3,-1.17,;1.67,-1.94,;-6.33,-1.94,;-6.33,-3.47,;-5,-4.25,;-5,-5.79,;-6.5,-6.11,;-5.47,-7.25,;-3.66,-6.56,)|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022098806
n/an/a 0.0200n/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