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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'LIM domain kinase 1' and Ligand = 'BDBM50364649'   
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))
BDBM50364649
PNG
(CHEMBL1951346)
Show SMILES CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C24H24N6O2/c1-14(2)28-23(31)17-5-4-6-19(11-17)30-24(32)29-18-9-7-16(8-10-18)21-20-15(3)12-25-22(20)27-13-26-21/h4-14H,1-3H3,(H,28,31)(H,25,26,27)(H2,29,30,32)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 62n/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
LIM domain kinase 1


(Rattus norvegicus)
BDBM50364649
PNG
(CHEMBL1951346)
Show SMILES CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C24H24N6O2/c1-14(2)28-23(31)17-5-4-6-19(11-17)30-24(32)29-18-9-7-16(8-10-18)21-20-15(3)12-25-22(20)27-13-26-21/h4-14H,1-3H3,(H,28,31)(H,25,26,27)(H2,29,30,32)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Limk1 in rat A7r5 cells assessed as reduction in cofilin phosphorylation by Western blot method


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