BindingDB logo
myBDB logout

null

SMILES: C[C@H](O)[C@H]1C[C@@H](C1)OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C

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 = 598254   
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))		BDBM598254
PNG
((1R,3s)-3-((S)-1- Hydroxyethyl)cyclobutyl(8-amino-...)
Show SMILES C[C@H](O)[C@H]1C[C@@H](C1)OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r,wU:3.2,1.1,wD:5.7,(-8,-5.32,;-6.67,-4.55,;-5.33,-5.32,;-6.67,-3.01,;-7.76,-1.93,;-6.67,-.84,;-5.58,-1.93,;-6.67,.7,;-5.33,1.47,;-5.33,3.01,;-4,.7,;-2.67,1.47,;-1.33,.7,;,1.47,;1.33,.7,;2.67,1.47,;2.67,3.01,;4,3.78,;1.33,3.78,;1.33,5.32,;,3.01,;-1.33,3.78,;-2.67,3.01,;4,.7,;5.33,1.47,;6.67,.7,;6.67,-.84,;8,-1.61,;8,-3.15,;6.67,-3.92,;5.33,-3.15,;5.33,-1.61,;4,-.84,;2.67,-1.61,)|
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