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SMILES: Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@@H]3C[C@H](CO)C3)ncc2c(N)c1F

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 = 598249   
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))		BDBM598249
PNG
((1s,3s)-3-(Hydroxymethyl)cyclobutyl(8- amino-7-flu...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@@H]3C[C@H](CO)C3)ncc2c(N)c1F |r,wD:20.21,22.24,(2.55,-1.61,;3.88,-.84,;5.21,-1.61,;5.21,-3.15,;6.55,-3.92,;7.88,-3.15,;7.88,-1.61,;6.55,-.84,;6.55,.7,;5.21,1.47,;3.88,.7,;2.55,1.47,;1.21,.7,;-.12,1.47,;-1.46,.7,;-2.79,1.47,;-4.12,.7,;-5.46,1.47,;-5.46,3.01,;-6.79,.7,;-6.79,-.84,;-5.7,-1.93,;-6.79,-3.01,;-6.79,-4.55,;-5.46,-5.32,;-7.88,-1.93,;-2.79,3.01,;-1.46,3.78,;-.12,3.01,;1.21,3.78,;1.21,5.32,;2.55,3.01,;3.88,3.78,)|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<0.0130n/an/an/an/an/an/an/an/a


TBA

Assay Description
TBD

Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z776H
More data for this
Ligand-Target Pair