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Compile Data Set for Download or QSAR

Found 99 hits Enz. Inhib. hit(s) with all data for entry = 50040195   
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
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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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 2


(Homo sapiens)
BDBM50390795
PNG
(CHEMBL2070619)
Show SMILES COc1cc(Cl)c(c(Cl)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1
Show InChI InChI=1S/C20H14Cl2N6O2S/c1-10(29)26-20-25-9-17(31-20)14-7-15(18-12(21)5-11(30-2)6-13(18)22)28-19(27-14)16-8-23-3-4-24-16/h3-9H,1-2H3,(H,25,26,29)
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n/an/a 8n/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
LIM domain kinase 2


(Homo sapiens)
BDBM50390794
PNG
(CHEMBL2070618)
Show SMILES CNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC)cc1Cl
Show InChI InChI=1S/C20H15Cl2N7O2S/c1-23-19(30)29-20-26-9-16(32-20)13-7-14(17-11(21)5-10(31-2)6-12(17)22)28-18(27-13)15-8-24-3-4-25-15/h3-9H,1-2H3,(H2,23,26,29,30)
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n/an/a 12n/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
LIM domain kinase 2


(Homo sapiens)
BDBM50390779
PNG
(CHEMBL2070497)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC)cc1Cl
Show InChI InChI=1S/C21H18Cl2N6OS/c1-3-4-26-21-27-11-18(31-21)15-9-16(19-13(22)7-12(30-2)8-14(19)23)29-20(28-15)17-10-24-5-6-25-17/h5-11H,3-4H2,1-2H3,(H,26,27)
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n/an/a 16n/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
LIM domain kinase 2


(Homo sapiens)
BDBM50390790
PNG
(CHEMBL2070614)
Show SMILES CNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C
Show InChI InChI=1S/C22H21N7O2S/c1-12-7-14(31-4)8-13(2)19(12)16-9-15(18-11-26-22(32-18)29-21(30)23-3)27-20(28-16)17-10-24-5-6-25-17/h5-11H,1-4H3,(H2,23,26,29,30)
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n/an/a 16n/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
LIM domain kinase 1


(Homo sapiens)
BDBM50390790
PNG
(CHEMBL2070614)
Show SMILES CNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C
Show InChI InChI=1S/C22H21N7O2S/c1-12-7-14(31-4)8-13(2)19(12)16-9-15(18-11-26-22(32-18)29-21(30)23-3)27-20(28-16)17-10-24-5-6-25-17/h5-11H,1-4H3,(H2,23,26,29,30)
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n/an/a 23n/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)
BDBM50390785
PNG
(CHEMBL2070504)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OCCC2CCCCC2)ccc1Cl
Show InChI InChI=1S/C28H31ClN6OS/c1-2-11-32-28-33-18-26(37-28)24-16-23(34-27(35-24)25-17-30-12-13-31-25)21-15-20(8-9-22(21)29)36-14-10-19-6-4-3-5-7-19/h8-9,12-13,15-19H,2-7,10-11,14H2,1H3,(H,32,33)
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n/an/a 28n/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
LIM domain kinase 1


(Homo sapiens)
BDBM50390795
PNG
(CHEMBL2070619)
Show SMILES COc1cc(Cl)c(c(Cl)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1
Show InChI InChI=1S/C20H14Cl2N6O2S/c1-10(29)26-20-25-9-17(31-20)14-7-15(18-12(21)5-11(30-2)6-13(18)22)28-19(27-14)16-8-23-3-4-24-16/h3-9H,1-2H3,(H,25,26,29)
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n/an/a 30n/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 1


(Homo sapiens)
BDBM50390794
PNG
(CHEMBL2070618)
Show SMILES CNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC)cc1Cl
Show InChI InChI=1S/C20H15Cl2N7O2S/c1-23-19(30)29-20-26-9-16(32-20)13-7-14(17-11(21)5-10(31-2)6-12(17)22)28-18(27-13)15-8-24-3-4-25-15/h3-9H,1-2H3,(H2,23,26,29,30)
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n/an/a 32n/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 1


(Homo sapiens)
BDBM50390779
PNG
(CHEMBL2070497)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC)cc1Cl
Show InChI InChI=1S/C21H18Cl2N6OS/c1-3-4-26-21-27-11-18(31-21)15-9-16(19-13(22)7-12(30-2)8-14(19)23)29-20(28-15)17-10-24-5-6-25-17/h5-11H,3-4H2,1-2H3,(H,26,27)
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n/an/a 38n/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)
BDBM50390791
PNG
(CHEMBL2070615)
Show SMILES CCNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C
Show InChI InChI=1S/C23H23N7O2S/c1-5-25-22(31)30-23-27-12-19(33-23)16-10-17(20-13(2)8-15(32-4)9-14(20)3)29-21(28-16)18-11-24-6-7-26-18/h6-12H,5H2,1-4H3,(H2,25,27,30,31)
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n/an/a 38n/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
LIM domain kinase 1


(Homo sapiens)
BDBM50390791
PNG
(CHEMBL2070615)
Show SMILES CCNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C
Show InChI InChI=1S/C23H23N7O2S/c1-5-25-22(31)30-23-27-12-19(33-23)16-10-17(20-13(2)8-15(32-4)9-14(20)3)29-21(28-16)18-11-24-6-7-26-18/h6-12H,5H2,1-4H3,(H2,25,27,30,31)
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n/an/a 58n/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)
BDBM50390792
PNG
(CHEMBL2070616)
Show SMILES COc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1
Show InChI InChI=1S/C22H20N6O2S/c1-12-7-15(30-4)8-13(2)20(12)17-9-16(19-11-25-22(31-19)26-14(3)29)27-21(28-17)18-10-23-5-6-24-18/h5-11H,1-4H3,(H,25,26,29)
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n/an/a 59n/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
LIM domain kinase 1


(Homo sapiens)
BDBM50390787
PNG
(CHEMBL2070611)
Show SMILES CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1
Show InChI InChI=1S/C26H28N6O2S/c1-6-18(7-2)34-19-10-15(3)24(16(4)11-19)21-12-20(23-14-29-26(35-23)30-17(5)33)31-25(32-21)22-13-27-8-9-28-22/h8-14,18H,6-7H2,1-5H3,(H,29,30,33)
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n/an/a 64n/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 1


(Homo sapiens)
BDBM50390789
PNG
(CHEMBL2070613)
Show SMILES CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(=O)NC)s1
Show InChI InChI=1S/C26H29N7O2S/c1-6-17(7-2)35-18-10-15(3)23(16(4)11-18)20-12-19(22-14-30-26(36-22)33-25(34)27-5)31-24(32-20)21-13-28-8-9-29-21/h8-14,17H,6-7H2,1-5H3,(H2,27,30,33,34)
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n/an/a 66n/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 1


(Homo sapiens)
BDBM50390792
PNG
(CHEMBL2070616)
Show SMILES COc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1
Show InChI InChI=1S/C22H20N6O2S/c1-12-7-15(30-4)8-13(2)20(12)17-9-16(19-11-25-22(31-19)26-14(3)29)27-21(28-17)18-10-23-5-6-24-18/h5-11H,1-4H3,(H,25,26,29)
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n/an/a 87n/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 1


(Homo sapiens)
BDBM50390780
PNG
(CHEMBL2070498)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OCCC)cc1Cl
Show InChI InChI=1S/C23H22Cl2N6OS/c1-3-5-28-23-29-13-20(33-23)17-11-18(31-22(30-17)19-12-26-6-7-27-19)21-15(24)9-14(10-16(21)25)32-8-4-2/h6-7,9-13H,3-5,8H2,1-2H3,(H,28,29)
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n/an/a 115n/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)
BDBM50390780
PNG
(CHEMBL2070498)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OCCC)cc1Cl
Show InChI InChI=1S/C23H22Cl2N6OS/c1-3-5-28-23-29-13-20(33-23)17-11-18(31-22(30-17)19-12-26-6-7-27-19)21-15(24)9-14(10-16(21)25)32-8-4-2/h6-7,9-13H,3-5,8H2,1-2H3,(H,28,29)
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n/an/a 141n/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
LIM domain kinase 1


(Homo sapiens)
BDBM50390785
PNG
(CHEMBL2070504)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OCCC2CCCCC2)ccc1Cl
Show InChI InChI=1S/C28H31ClN6OS/c1-2-11-32-28-33-18-26(37-28)24-16-23(34-27(35-24)25-17-30-12-13-31-25)21-15-20(8-9-22(21)29)36-14-10-19-6-4-3-5-7-19/h8-9,12-13,15-19H,2-7,10-11,14H2,1H3,(H,32,33)
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n/an/a 145n/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 1


(Homo sapiens)
BDBM50390782
PNG
(CHEMBL2070500)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC(CC)CC)cc1Cl
Show InChI InChI=1S/C25H26Cl2N6OS/c1-4-7-30-25-31-14-22(35-25)19-12-20(33-24(32-19)21-13-28-8-9-29-21)23-17(26)10-16(11-18(23)27)34-15(5-2)6-3/h8-15H,4-7H2,1-3H3,(H,30,31)
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n/an/a 163n/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)
BDBM50390784
PNG
(CHEMBL2070503)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OCCC)ccc1Cl
Show InChI InChI=1S/C23H23ClN6OS/c1-3-7-27-23-28-14-21(32-23)19-12-18(29-22(30-19)20-13-25-8-9-26-20)16-11-15(31-10-4-2)5-6-17(16)24/h5-6,8-9,11-14H,3-4,7,10H2,1-2H3,(H,27,28)
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n/an/a 171n/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
LIM domain kinase 1


(Homo sapiens)
BDBM50390788
PNG
(CHEMBL2070612)
Show SMILES CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(=O)C(C)C)s1
Show InChI InChI=1S/C28H32N6O2S/c1-7-19(8-2)36-20-11-17(5)25(18(6)12-20)22-13-21(32-26(33-22)23-14-29-9-10-30-23)24-15-31-28(37-24)34-27(35)16(3)4/h9-16,19H,7-8H2,1-6H3,(H,31,34,35)
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n/an/a 172n/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)
BDBM50390789
PNG
(CHEMBL2070613)
Show SMILES CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(=O)NC)s1
Show InChI InChI=1S/C26H29N7O2S/c1-6-17(7-2)35-18-10-15(3)23(16(4)11-18)20-12-19(22-14-30-26(36-22)33-25(34)27-5)31-24(32-20)21-13-28-8-9-29-21/h8-14,17H,6-7H2,1-5H3,(H2,27,30,33,34)
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n/an/a 173n/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
LIM domain kinase 2


(Homo sapiens)
BDBM50390793
PNG
(CHEMBL2070617)
Show SMILES COC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C
Show InChI InChI=1S/C22H20N6O3S/c1-12-7-14(30-3)8-13(2)19(12)16-9-15(18-11-25-21(32-18)28-22(29)31-4)26-20(27-16)17-10-23-5-6-24-17/h5-11H,1-4H3,(H,25,28,29)
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n/an/a 202n/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
LIM domain kinase 1


(Homo sapiens)
BDBM50390778
PNG
(CHEMBL2070496)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(OC2CCCC2)cc1Cl
Show InChI InChI=1S/C25H25ClN6OS/c1-2-9-29-25-30-15-23(34-25)21-13-20(31-24(32-21)22-14-27-10-11-28-22)18-8-7-17(12-19(18)26)33-16-5-3-4-6-16/h7-8,10-16H,2-6,9H2,1H3,(H,29,30)
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n/an/a 210n/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 1


(Homo sapiens)
BDBM50390796
PNG
(CHEMBL2070501)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(OC(CC)CC)cc1C
Show InChI InChI=1S/C26H30N6OS/c1-5-10-29-26-30-16-24(34-26)22-14-21(31-25(32-22)23-15-27-11-12-28-23)20-9-8-19(13-17(20)4)33-18(6-2)7-3/h8-9,11-16,18H,5-7,10H2,1-4H3,(H,29,30)
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n/an/a 213n/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 1


(Homo sapiens)
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)
BDBM50390788
PNG
(CHEMBL2070612)
Show SMILES CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(=O)C(C)C)s1
Show InChI InChI=1S/C28H32N6O2S/c1-7-19(8-2)36-20-11-17(5)25(18(6)12-20)22-13-21(32-26(33-22)23-14-29-9-10-30-23)24-15-31-28(37-24)34-27(35)16(3)4/h9-16,19H,7-8H2,1-6H3,(H,31,34,35)
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n/an/a 245n/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
LIM domain kinase 1


(Homo sapiens)
BDBM50390781
PNG
(CHEMBL2070499)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC2CCCC2)cc1Cl
Show InChI InChI=1S/C25H24Cl2N6OS/c1-2-7-30-25-31-14-22(35-25)19-12-20(33-24(32-19)21-13-28-8-9-29-21)23-17(26)10-16(11-18(23)27)34-15-5-3-4-6-15/h8-15H,2-7H2,1H3,(H,30,31)
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n/an/a 250n/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
Dual specificity testis-specific protein kinase 2


(Homo sapiens)
BDBM50390791
PNG
(CHEMBL2070615)
Show SMILES CCNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C
Show InChI InChI=1S/C23H23N7O2S/c1-5-25-22(31)30-23-27-12-19(33-23)16-10-17(20-13(2)8-15(32-4)9-14(20)3)29-21(28-16)18-11-24-6-7-26-18/h6-12H,5H2,1-4H3,(H2,25,27,30,31)
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n/an/a 252n/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
LIM domain kinase 1


(Homo sapiens)
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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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
LIM domain kinase 1


(Homo sapiens)
BDBM50390793
PNG
(CHEMBL2070617)
Show SMILES COC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C
Show InChI InChI=1S/C22H20N6O3S/c1-12-7-14(30-3)8-13(2)19(12)16-9-15(18-11-25-21(32-18)28-22(29)31-4)26-20(27-16)17-10-23-5-6-24-17/h5-11H,1-4H3,(H,25,28,29)
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n/an/a 284n/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)
BDBM50390787
PNG
(CHEMBL2070611)
Show SMILES CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1
Show InChI InChI=1S/C26H28N6O2S/c1-6-18(7-2)34-19-10-15(3)24(16(4)11-19)21-12-20(23-14-29-26(35-23)30-17(5)33)31-25(32-21)22-13-27-8-9-28-22/h8-14,18H,6-7H2,1-5H3,(H,29,30,33)
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n/an/a 311n/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
LIM domain kinase 1


(Homo sapiens)
BDBM50390777
PNG
(CHEMBL2070495)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(OC(CC)CC)cc1Cl
Show InChI InChI=1S/C25H27ClN6OS/c1-4-9-29-25-30-15-23(34-25)21-13-20(31-24(32-21)22-14-27-10-11-28-22)18-8-7-17(12-19(18)26)33-16(5-2)6-3/h7-8,10-16H,4-6,9H2,1-3H3,(H,29,30)
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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 1


(Homo sapiens)
BDBM50390773
PNG
(CHEMBL2070491)
Show SMILES CCOc1ccc(c(Cl)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)C)s1
Show InChI InChI=1S/C22H21ClN6OS/c1-4-30-14-5-6-15(16(23)9-14)17-10-18(20-12-26-22(31-20)27-13(2)3)29-21(28-17)19-11-24-7-8-25-19/h5-13H,4H2,1-3H3,(H,26,27)
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n/an/a 368n/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)
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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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 2


(Homo sapiens)
BDBM50390789
PNG
(CHEMBL2070613)
Show SMILES CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(=O)NC)s1
Show InChI InChI=1S/C26H29N7O2S/c1-6-17(7-2)35-18-10-15(3)23(16(4)11-18)20-12-19(22-14-30-26(36-22)33-25(34)27-5)31-24(32-20)21-13-28-8-9-29-21/h8-14,17H,6-7H2,1-5H3,(H2,27,30,33,34)
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n/an/a 415n/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
Dual specificity testis-specific protein kinase 2


(Homo sapiens)
BDBM50390790
PNG
(CHEMBL2070614)
Show SMILES CNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C
Show InChI InChI=1S/C22H21N7O2S/c1-12-7-14(31-4)8-13(2)19(12)16-9-15(18-11-26-22(32-18)29-21(30)23-3)27-20(28-16)17-10-24-5-6-25-17/h5-11H,1-4H3,(H2,23,26,29,30)
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n/an/a 415n/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
LIM domain kinase 1


(Homo sapiens)
BDBM50390776
PNG
(CHEMBL2070494)
Show SMILES CCCCCOc1ccc(c(Cl)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NCCC)s1
Show InChI InChI=1S/C25H27ClN6OS/c1-3-5-6-12-33-17-7-8-18(19(26)13-17)20-14-21(23-16-30-25(34-23)29-9-4-2)32-24(31-20)22-15-27-10-11-28-22/h7-8,10-11,13-16H,3-6,9,12H2,1-2H3,(H,29,30)
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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
Dual specificity testis-specific protein kinase 1


(Homo sapiens)
BDBM50390791
PNG
(CHEMBL2070615)
Show SMILES CCNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C
Show InChI InChI=1S/C23H23N7O2S/c1-5-25-22(31)30-23-27-12-19(33-23)16-10-17(20-13(2)8-15(32-4)9-14(20)3)29-21(28-16)18-11-24-6-7-26-18/h6-12H,5H2,1-4H3,(H2,25,27,30,31)
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n/an/a 455n/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
LIM domain kinase 1


(Homo sapiens)
BDBM50390771
PNG
(CHEMBL2070489)
Show SMILES CCOc1ccc(c(Cl)c1)-c1cc(nc(n1)-c1ccccn1)-c1cnc(NC(C)C)s1
Show InChI InChI=1S/C23H22ClN5OS/c1-4-30-15-8-9-16(17(24)11-15)19-12-20(21-13-26-23(31-21)27-14(2)3)29-22(28-19)18-7-5-6-10-25-18/h5-14H,4H2,1-3H3,(H,26,27)
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n/an/a 485n/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))
BDBM50390772
PNG
(CHEMBL2070490)
Show SMILES CCOc1ccc(c(Cl)c1)-c1cc(nc(n1)-c1ccccc1F)-c1cnc(NC(C)C)s1
Show InChI InChI=1S/C24H22ClFN4OS/c1-4-31-15-9-10-16(18(25)11-15)20-12-21(22-13-27-24(32-22)28-14(2)3)30-23(29-20)17-7-5-6-8-19(17)26/h5-14H,4H2,1-3H3,(H,27,28)
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n/an/a 590n/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
Dual specificity testis-specific protein kinase 2


(Homo sapiens)
BDBM50390792
PNG
(CHEMBL2070616)
Show SMILES COc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1
Show InChI InChI=1S/C22H20N6O2S/c1-12-7-15(30-4)8-13(2)20(12)17-9-16(19-11-25-22(31-19)26-14(3)29)27-21(28-17)18-10-23-5-6-24-18/h5-11H,1-4H3,(H,25,26,29)
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n/an/a 612n/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
LIM domain kinase 2


(Homo sapiens)
BDBM50390783
PNG
(CHEMBL2070502)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OC)ccc1Cl
Show InChI InChI=1S/C21H19ClN6OS/c1-3-6-25-21-26-12-19(30-21)17-10-16(14-9-13(29-2)4-5-15(14)22)27-20(28-17)18-11-23-7-8-24-18/h4-5,7-12H,3,6H2,1-2H3,(H,25,26)
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n/an/a 760n/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
LIM domain kinase 2


(Homo sapiens)
BDBM50390781
PNG
(CHEMBL2070499)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC2CCCC2)cc1Cl
Show InChI InChI=1S/C25H24Cl2N6OS/c1-2-7-30-25-31-14-22(35-25)19-12-20(33-24(32-19)21-13-28-8-9-29-21)23-17(26)10-16(11-18(23)27)34-15-5-3-4-6-15/h8-15H,2-7H2,1H3,(H,30,31)
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n/an/a 810n/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
LIM domain kinase 1


(Homo sapiens)
BDBM50390784
PNG
(CHEMBL2070503)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OCCC)ccc1Cl
Show InChI InChI=1S/C23H23ClN6OS/c1-3-7-27-23-28-14-21(32-23)19-12-18(29-22(30-19)20-13-25-8-9-26-20)16-11-15(31-10-4-2)5-6-17(16)24/h5-6,8-9,11-14H,3-4,7,10H2,1-2H3,(H,27,28)
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n/an/a 1.04E+3n/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
Dual specificity testis-specific protein kinase 1


(Homo sapiens)
BDBM50390790
PNG
(CHEMBL2070614)
Show SMILES CNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C
Show InChI InChI=1S/C22H21N7O2S/c1-12-7-14(31-4)8-13(2)19(12)16-9-15(18-11-26-22(32-18)29-21(30)23-3)27-20(28-16)17-10-24-5-6-25-17/h5-11H,1-4H3,(H2,23,26,29,30)
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n/an/a 1.13E+3n/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
LIM domain kinase 2


(Homo sapiens)
BDBM50390796
PNG
(CHEMBL2070501)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(OC(CC)CC)cc1C
Show InChI InChI=1S/C26H30N6OS/c1-5-10-29-26-30-16-24(34-26)22-14-21(31-25(32-22)23-15-27-11-12-28-23)20-9-8-19(13-17(20)4)33-18(6-2)7-3/h8-9,11-16,18H,5-7,10H2,1-4H3,(H,29,30)
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n/an/a 1.22E+3n/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
LIM domain kinase 2


(Homo sapiens)
BDBM50390775
PNG
(CHEMBL2070493)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(OC)cc1Cl
Show InChI InChI=1S/C21H19ClN6OS/c1-3-6-25-21-26-12-19(30-21)17-10-16(14-5-4-13(29-2)9-15(14)22)27-20(28-17)18-11-23-7-8-24-18/h4-5,7-12H,3,6H2,1-2H3,(H,25,26)
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n/an/a 1.23E+3n/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
LIM domain kinase 2


(Homo sapiens)
BDBM50390782
PNG
(CHEMBL2070500)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC(CC)CC)cc1Cl
Show InChI InChI=1S/C25H26Cl2N6OS/c1-4-7-30-25-31-14-22(35-25)19-12-20(33-24(32-19)21-13-28-8-9-29-21)23-17(26)10-16(11-18(23)27)34-15(5-2)6-3/h8-15H,4-7H2,1-3H3,(H,30,31)
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n/an/a 1.53E+3n/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
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