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SMILES: Oc1ccc(Nc2ncc(C(=O)Nc3c(F)cccc3Cl)c(NCC3CCCO3)n2)cc1

InChI Key: InChIKey=ZJCUHIIRMSQNBU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50084447   
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))		BDBM50084447
PNG
(CHEMBL3426861)
Show SMILES Oc1ccc(Nc2ncc(C(=O)Nc3c(F)cccc3Cl)c(NCC3CCCO3)n2)cc1
Show InChI InChI=1S/C22H21ClFN5O3/c23-17-4-1-5-18(24)19(17)28-21(31)16-12-26-22(27-13-6-8-14(30)9-7-13)29-20(16)25-11-15-3-2-10-32-15/h1,4-9,12,15,30H,2-3,10-11H2,(H,28,31)(H2,25,26,27,29)
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Similars
Article
PubMed
n/an/a 54n/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