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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50390786   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50390786
PNG
(CHEMBL2070505)
Show SMILES CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(=O)OC)s1
Show InChI InChI=1S/C26H28N6O3S/c1-6-17(7-2)35-18-10-15(3)23(16(4)11-18)20-12-19(22-14-29-25(36-22)32-26(33)34-5)30-24(31-20)21-13-27-8-9-28-21/h8-14,17H,6-7H2,1-5H3,(H,29,32,33)
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n/an/a 227n/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
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50390786
PNG
(CHEMBL2070505)
Show SMILES CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(=O)OC)s1
Show InChI InChI=1S/C26H28N6O3S/c1-6-17(7-2)35-18-10-15(3)23(16(4)11-18)20-12-19(22-14-29-25(36-22)32-26(33)34-5)30-24(31-20)21-13-27-8-9-28-21/h8-14,17H,6-7H2,1-5H3,(H,29,32,33)
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n/an/a 382n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK2


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
Dual specificity testis-specific protein kinase 1


(Homo sapiens (Human))
BDBM50390786
PNG
(CHEMBL2070505)
Show SMILES CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(=O)OC)s1
Show InChI InChI=1S/C26H28N6O3S/c1-6-17(7-2)35-18-10-15(3)23(16(4)11-18)20-12-19(22-14-29-25(36-22)32-26(33)34-5)30-24(31-20)21-13-27-8-9-28-21/h8-14,17H,6-7H2,1-5H3,(H,29,32,33)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of TESK1


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
Dual specificity testis-specific protein kinase 2


(Homo sapiens (Human))
BDBM50390786
PNG
(CHEMBL2070505)
Show SMILES CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(=O)OC)s1
Show InChI InChI=1S/C26H28N6O3S/c1-6-17(7-2)35-18-10-15(3)23(16(4)11-18)20-12-19(22-14-29-25(36-22)32-26(33)34-5)30-24(31-20)21-13-27-8-9-28-21/h8-14,17H,6-7H2,1-5H3,(H,29,32,33)
KEGG

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antibodypedia
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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of TESK2


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