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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 = 'BDBM50072668'   
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))
BDBM50072668
PNG
(CHEMBL3410045)
Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(C)cc4)cc3)c12
Show InChI InChI=1S/C23H23N5O2/c1-15-3-9-19(10-4-15)28(11-12-29)23(30)27-18-7-5-17(6-8-18)21-20-16(2)13-24-22(20)26-14-25-21/h3-10,13-14,29H,11-12H2,1-2H3,(H,27,30)(H,24,25,26)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 37n/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)
BDBM50072668
PNG
(CHEMBL3410045)
Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(C)cc4)cc3)c12
Show InChI InChI=1S/C23H23N5O2/c1-15-3-9-19(10-4-15)28(11-12-29)23(30)27-18-7-5-17(6-8-18)21-20-16(2)13-24-22(20)26-14-25-21/h3-10,13-14,29H,11-12H2,1-2H3,(H,27,30)(H,24,25,26)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 190n/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