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SMILES: CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NCC(F)F)c(Cl)c(F)c3F)c12)-c1cnc2c(c1)N(C(=O)C2(C)C)C1(CC(C)C1)N1CCCCCC1

InChI Key:

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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 = 529842   
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))		BDBM529842
PNG
(US11203591, Example 248)
Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NCC(F)F)c(Cl)c(F)c3F)c12)-c1cnc2c(c1)N(C(=O)C2(C)C)C1(CC(C)C1)N1CCCCCC1 |(-2.25,5.87,;-.74,5.55,;.29,6.7,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;2.53,5.92,;3.86,6.69,;5.2,5.92,;6.53,6.69,;7.87,5.92,;7.87,4.38,;9.2,6.69,;9.2,8.23,;10.53,9,;10.53,10.54,;11.87,8.23,;6.53,8.23,;7.87,9,;5.2,9,;5.2,10.54,;3.86,8.23,;2.53,9,;1.2,3.61,;5.2,1.3,;6.53,2.07,;7.87,1.3,;7.87,-.24,;6.53,-1.01,;5.2,-.24,;6.85,-2.51,;8.38,-2.67,;9.15,-4.01,;9.01,-1.27,;10.48,-1.73,;10.16,-.25,;5.82,-3.66,;6.97,-4.69,;5.94,-5.83,;6.02,-7.37,;4.79,-4.8,;4.68,-2.63,;3.25,-3.21,;1.91,-2.46,;1.65,-.94,;2.68,.2,;4.22,.11,;5.11,-1.15,)|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.0500n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair