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BDBM50124396 CHEMBL3623434

SMILES: CCNc1ncc(s1)-c1ccncc1-c1ccccc1Cl

InChI Key: InChIKey=ACINXGSHIIUUEF-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50124396   
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))
BDBM50124396
PNG
(CHEMBL3623434)
Show SMILES CCNc1ncc(s1)-c1ccncc1-c1ccccc1Cl
Show InChI InChI=1S/C16H14ClN3S/c1-2-19-16-20-10-15(21-16)12-7-8-18-9-13(12)11-5-3-4-6-14(11)17/h3-10H,2H2,1H3,(H,19,20)
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.40E+4n/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
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50124396
PNG
(CHEMBL3623434)
Show SMILES CCNc1ncc(s1)-c1ccncc1-c1ccccc1Cl
Show InChI InChI=1S/C16H14ClN3S/c1-2-19-16-20-10-15(21-16)12-7-8-18-9-13(12)11-5-3-4-6-14(11)17/h3-10H,2H2,1H3,(H,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 120n/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