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SMILES: Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@H]3C[C@@H](C3)C(F)F)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 = 598260   
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))		BDBM598260
PNG
((1r,3r)-3-(Difluoromethyl)cyclobutyl(8- amino-7-fl...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@H]3C[C@@H](C3)C(F)F)ncc2c(N)c1F |r,wU:20.21,wD:22.26,(2.67,-1.61,;4,-.84,;5.33,-1.61,;5.33,-3.15,;6.67,-3.92,;8,-3.15,;8,-1.61,;6.67,-.84,;6.67,.7,;5.33,1.47,;4,.7,;2.67,1.47,;1.33,.7,;,1.47,;-1.33,.7,;-2.67,1.47,;-4,.7,;-5.33,1.47,;-5.33,3.01,;-6.67,.7,;-6.67,-.84,;-5.58,-1.93,;-6.67,-3.01,;-7.76,-1.93,;-6.67,-4.55,;-8,-5.32,;-5.33,-5.32,;-2.67,3.01,;-1.33,3.78,;,3.01,;1.33,3.78,;1.33,5.32,;2.67,3.01,;4,3.78,)|
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