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BDBM50327390 5-(6-(2-chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-N-isopropylthiazol-2-amine::CHEMBL1258633

SMILES: CC(C)Nc1ncc(s1)-c1cc(nc(n1)-c1ccccn1)-c1ccccc1Cl

InChI Key: InChIKey=BEBZPLUXTCGKDB-UHFFFAOYSA-N

Data: 5 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50327390   
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))
BDBM50327390
PNG
(5-(6-(2-chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-...)
Show SMILES CC(C)Nc1ncc(s1)-c1cc(nc(n1)-c1ccccn1)-c1ccccc1Cl
Show InChI InChI=1S/C21H18ClN5S/c1-13(2)25-21-24-12-19(28-21)18-11-17(14-7-3-4-8-15(14)22)26-20(27-18)16-9-5-6-10-23-16/h3-13H,1-2H3,(H,24,25)
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Article
PubMed
n/an/a 252n/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)


Article DOI: 10.1016/j.bmcl.2010.07.102
BindingDB Entry DOI: 10.7270/Q22F7NP6
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50327390
PNG
(5-(6-(2-chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-...)
Show SMILES CC(C)Nc1ncc(s1)-c1cc(nc(n1)-c1ccccn1)-c1ccccc1Cl
Show InChI InChI=1S/C21H18ClN5S/c1-13(2)25-21-24-12-19(28-21)18-11-17(14-7-3-4-8-15(14)22)26-20(27-18)16-9-5-6-10-23-16/h3-13H,1-2H3,(H,24,25)
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Article
PubMed
n/an/a 362n/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)


Article DOI: 10.1016/j.bmcl.2010.07.102
BindingDB Entry DOI: 10.7270/Q22F7NP6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327390
PNG
(5-(6-(2-chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-...)
Show SMILES CC(C)Nc1ncc(s1)-c1cc(nc(n1)-c1ccccn1)-c1ccccc1Cl
Show InChI InChI=1S/C21H18ClN5S/c1-13(2)25-21-24-12-19(28-21)18-11-17(14-7-3-4-8-15(14)22)26-20(27-18)16-9-5-6-10-23-16/h3-13H,1-2H3,(H,24,25)
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Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MAPK p38alpha


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50327390
PNG
(5-(6-(2-chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-...)
Show SMILES CC(C)Nc1ncc(s1)-c1cc(nc(n1)-c1ccccn1)-c1ccccc1Cl
Show InChI InChI=1S/C21H18ClN5S/c1-13(2)25-21-24-12-19(28-21)18-11-17(14-7-3-4-8-15(14)22)26-20(27-18)16-9-5-6-10-23-16/h3-13H,1-2H3,(H,24,25)
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Article
PubMed
n/an/a 252n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK1


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327390
PNG
(5-(6-(2-chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-...)
Show SMILES CC(C)Nc1ncc(s1)-c1cc(nc(n1)-c1ccccn1)-c1ccccc1Cl
Show InChI InChI=1S/C21H18ClN5S/c1-13(2)25-21-24-12-19(28-21)18-11-17(14-7-3-4-8-15(14)22)26-20(27-18)16-9-5-6-10-23-16/h3-13H,1-2H3,(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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UniProtKB/TrEMBL

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PC sid
UniChem

Patents


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Article
PubMed
n/an/a 4n/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)


Article DOI: 10.1016/j.bmcl.2010.07.102
BindingDB Entry DOI: 10.7270/Q22F7NP6
More data for this
Ligand-Target Pair