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BDBM50124352 CHEMBL3623441

SMILES: CC(C)C(=O)Nc1ncc(s1)-c1ccncc1-c1ccccc1Cl

InChI Key: InChIKey=ROPKDJGJHNEEFN-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50124352   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50124352
PNG
(CHEMBL3623441)
Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1ccncc1-c1ccccc1Cl
Show InChI InChI=1S/C18H16ClN3OS/c1-11(2)17(23)22-18-21-10-16(24-18)13-7-8-20-9-14(13)12-5-3-4-6-15(12)19/h3-11H,1-2H3,(H,21,22,23)
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PC cid
PC sid
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PubMed
n/an/a 3n/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)


BindingDB Entry DOI: 10.7270/Q27P917N
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50124352
PNG
(CHEMBL3623441)
Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1ccncc1-c1ccccc1Cl
Show InChI InChI=1S/C18H16ClN3OS/c1-11(2)17(23)22-18-21-10-16(24-18)13-7-8-20-9-14(13)12-5-3-4-6-15(12)19/h3-11H,1-2H3,(H,21,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 800n/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)


BindingDB Entry DOI: 10.7270/Q27P917N
More data for this
Ligand-Target Pair