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BDBM50299614 (S)-N'-cyano-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3-(trifluoromethyl)phenyl)piperazine-1-carboximidamide::CHEMBL571947

SMILES: C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(c1)C(F)(F)F)c1ncnc2[nH]cc(C)c12

InChI Key: InChIKey=LLTNWTYFGBIZTB-AWEZNQCLSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50299614   
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 2


(Homo sapiens (Human))
BDBM50299614
PNG
((S)-N'-cyano-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d...)
Show SMILES C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(c1)C(F)(F)F)c1ncnc2[nH]cc(C)c12 |r,w:11.12|
Show InChI InChI=1S/C21H21F3N8/c1-13-9-26-18-17(13)19(29-12-28-18)31-6-7-32(14(2)10-31)20(27-11-25)30-16-5-3-4-15(8-16)21(22,23)24/h3-5,8-9,12,14H,6-7,10H2,1-2H3,(H,27,30)(H,26,28,29)/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LIMK2 expressed in baculovirus-Sf9 system by scintillation counting


J Med Chem 52: 6515-8 (2009)


Article DOI: 10.1021/jm901226j
BindingDB Entry DOI: 10.7270/Q2HH6K4J
More data for this
Ligand-Target Pair