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SMILES: Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@H]3C[C@H](C3)C#N)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 = 598130   
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))		BDBM598130
PNG
((1s,3s)-3-Cyanocyclobutyl(8-amino-7- | US11612606,...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@H]3C[C@H](C3)C#N)ncc2c(N)c1F |r,wU:20.21,22.26,(4.28,-2.31,;5.61,-1.54,;6.94,-2.31,;6.94,-3.85,;8.28,-4.62,;9.61,-3.85,;9.61,-2.31,;8.28,-1.54,;8.28,,;6.94,.77,;5.61,,;4.28,.77,;2.94,,;1.61,.77,;.28,,;-1.06,.77,;-2.39,,;-2.39,-1.54,;-1.06,-2.31,;-3.72,-2.31,;-5.06,-1.54,;-6.55,-1.94,;-6.94,-.45,;-5.46,-.05,;-8.28,.32,;-9.61,1.09,;-1.06,2.31,;.28,3.08,;1.61,2.31,;2.94,3.08,;2.94,4.62,;4.28,2.31,;5.61,3.08,)|
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