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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50124397   
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))
BDBM50124397
PNG
(CHEMBL3623435)
Show SMILES CC(C)CNc1ncc(s1)-c1ccncc1-c1ccccc1Cl
Show InChI InChI=1S/C18H18ClN3S/c1-12(2)9-21-18-22-11-17(23-18)14-7-8-20-10-15(14)13-5-3-4-6-16(13)19/h3-8,10-12H,9H2,1-2H3,(H,21,22)
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Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Cancer Research Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate


J Med Chem 58: 8309-13 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01242
BindingDB Entry DOI: 10.7270/Q27P917N
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50124397
PNG
(CHEMBL3623435)
Show SMILES CC(C)CNc1ncc(s1)-c1ccncc1-c1ccccc1Cl
Show InChI InChI=1S/C18H18ClN3S/c1-12(2)9-21-18-22-11-17(23-18)14-7-8-20-10-15(14)13-5-3-4-6-16(13)19/h3-8,10-12H,9H2,1-2H3,(H,21,22)
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n/an/a 5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50124397
PNG
(CHEMBL3623435)
Show SMILES CC(C)CNc1ncc(s1)-c1ccncc1-c1ccccc1Cl
Show InChI InChI=1S/C18H18ClN3S/c1-12(2)9-21-18-22-11-17(23-18)14-7-8-20-10-15(14)13-5-3-4-6-16(13)19/h3-8,10-12H,9H2,1-2H3,(H,21,22)
PDB

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UniProtKB/SwissProt

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PC cid
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Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Cancer Research Technology

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 in human ZR75-1 cells assessed as inhibition of cofilin phosphorylation after 5 hrs


J Med Chem 58: 8309-13 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01242
BindingDB Entry DOI: 10.7270/Q27P917N
More data for this
Ligand-Target Pair