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BDBM50327391 CHEMBL1258976::N1-(4-(2-chlorophenyl)-6-(2-(isopropylamino)thiazol-5-yl)pyrimidin-2-yl)-N2,N2-dimethylethane-1,2-diamine

SMILES: CC(C)Nc1ncc(s1)-c1cc(nc(NCCN(C)C)n1)-c1ccccc1Cl

InChI Key: InChIKey=WTRQXHALVSEXHZ-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50327391   
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)
BDBM50327391
PNG
(CHEMBL1258976 | N1-(4-(2-chlorophenyl)-6-(2-(isopr...)
Show SMILES CC(C)Nc1ncc(s1)-c1cc(nc(NCCN(C)C)n1)-c1ccccc1Cl
Show InChI InChI=1S/C20H25ClN6S/c1-13(2)24-20-23-12-18(28-20)17-11-16(14-7-5-6-8-15(14)21)25-19(26-17)22-9-10-27(3)4/h5-8,11-13H,9-10H2,1-4H3,(H,23,24)(H,22,25,26)
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Article
PubMed
n/an/a 4.01n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LIMK1


Bioorg Med Chem Lett 20: 5864-8 (2010)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50327391
PNG
(CHEMBL1258976 | N1-(4-(2-chlorophenyl)-6-(2-(isopr...)
Show SMILES CC(C)Nc1ncc(s1)-c1cc(nc(NCCN(C)C)n1)-c1ccccc1Cl
Show InChI InChI=1S/C20H25ClN6S/c1-13(2)24-20-23-12-18(28-20)17-11-16(14-7-5-6-8-15(14)21)25-19(26-17)22-9-10-27(3)4/h5-8,11-13H,9-10H2,1-4H3,(H,23,24)(H,22,25,26)
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Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bacterially expressed activated p38alpha pre-incubated 10 mins measured after 45 mins by scintillation counting


Bioorg Med Chem Lett 20: 5864-8 (2010)

More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens)
BDBM50327391
PNG
(CHEMBL1258976 | N1-(4-(2-chlorophenyl)-6-(2-(isopr...)
Show SMILES CC(C)Nc1ncc(s1)-c1cc(nc(NCCN(C)C)n1)-c1ccccc1Cl
Show InChI InChI=1S/C20H25ClN6S/c1-13(2)24-20-23-12-18(28-20)17-11-16(14-7-5-6-8-15(14)21)25-19(26-17)22-9-10-27(3)4/h5-8,11-13H,9-10H2,1-4H3,(H,23,24)(H,22,25,26)
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PC sid
UniChem

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Article
PubMed
n/an/a 3.05n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LIMK2


Bioorg Med Chem Lett 20: 5864-8 (2010)

More data for this
Ligand-Target Pair