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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 = 'BDBM50072670'   
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))
BDBM50072670
PNG
(CHEMBL3410053)
Show SMILES Cc1[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(Cl)cc4)c(F)c3)c2c1C
Show InChI InChI=1S/C23H21ClFN5O2/c1-13-14(2)28-22-20(13)21(26-12-27-22)15-3-8-19(18(25)11-15)29-23(32)30(9-10-31)17-6-4-16(24)5-7-17/h3-8,11-12,31H,9-10H2,1-2H3,(H,29,32)(H,26,27,28)
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Article
PubMed
n/an/a 21n/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)
BDBM50072670
PNG
(CHEMBL3410053)
Show SMILES Cc1[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(Cl)cc4)c(F)c3)c2c1C
Show InChI InChI=1S/C23H21ClFN5O2/c1-13-14(2)28-22-20(13)21(26-12-27-22)15-3-8-19(18(25)11-15)29-23(32)30(9-10-31)17-6-4-16(24)5-7-17/h3-8,11-12,31H,9-10H2,1-2H3,(H,29,32)(H,26,27,28)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 210n/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