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SMILES: Oc1ccc(Nc2ncc(Br)c(NCC3CCCO3)n2)cc1

InChI Key: InChIKey=MGJLMNKJNFDXAN-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50084446   
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
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM50084446
PNG
(CHEMBL3426860)
Show SMILES Oc1ccc(Nc2ncc(Br)c(NCC3CCCO3)n2)cc1
Show InChI InChI=1S/C15H17BrN4O2/c16-13-9-18-15(19-10-3-5-11(21)6-4-10)20-14(13)17-8-12-2-1-7-22-12/h3-6,9,12,21H,1-2,7-8H2,(H2,17,18,19,20)
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Article
PubMed
n/an/a 164n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of human ACK1 using EAIYAAPFAKKK peptide substrate by 33P Hotspot assay

J Med Chem 58: 2746-63 (2015)


Article DOI: 10.1021/jm501929n
BindingDB Entry DOI: 10.7270/Q2H996XC
More data for this
Ligand-Target Pair