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SMILES: CCCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(=O)Nc3c(F)cccc3Cl)c(NCC3CCCO3)n2)cc1

InChI Key: InChIKey=BYAHFOWYCAGFPM-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50084463   
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))		BDBM50084463
PNG
(CHEMBL3426880)
Show SMILES CCCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(=O)Nc3c(F)cccc3Cl)c(NCC3CCCO3)n2)cc1
Show InChI InChI=1S/C30H35ClFN7O3/c1-2-5-26(40)39-15-13-38(14-16-39)21-11-9-20(10-12-21)35-30-34-19-23(28(37-30)33-18-22-6-4-17-42-22)29(41)36-27-24(31)7-3-8-25(27)32/h3,7-12,19,22H,2,4-6,13-18H2,1H3,(H,36,41)(H2,33,34,35,37)
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Similars
Article
PubMed
n/an/a 28n/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