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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'LIM domain kinase 1' and Ligand = 'BDBM50072731'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50072731
PNG
(CHEMBL3410049)
Show SMILES COc1ccc(cc1)N(CCN)C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C23H24N6O2/c1-15-13-25-22-20(15)21(26-14-27-22)16-3-5-17(6-4-16)28-23(30)29(12-11-24)18-7-9-19(31-2)10-8-18/h3-10,13-14H,11-12,24H2,1-2H3,(H,28,30)(H,25,26,27)
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n/an/a 27n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Limk1 using cofilin substrate, ATP and [gamma33P]ATP


J Med Chem 58: 1846-61 (2015)


Article DOI: 10.1021/jm501680m
BindingDB Entry DOI: 10.7270/Q2K64KRC
More data for this
Ligand-Target Pair