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Compile Data Set for Download or QSAR

Found 70 hits with Last Name = 'lawrence' and Initial = 'ce'   
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
Integrin alpha-L/beta-2 (LFA-1)


(Homo sapiens (Human))
BDBM50324826
PNG
((2S)-2-(2,6-dichloro-4-(3-hydroxy-3-(3-hydroxyphen...)
Show SMILES OC(CCc1cc(Cl)c(C(=O)N[C@@H](CNC(=O)c2cccs2)C(O)=O)c(Cl)c1)c1cccc(O)c1 |r|
Show InChI InChI=1S/C24H22Cl2N2O6S/c25-16-9-13(6-7-19(30)14-3-1-4-15(29)11-14)10-17(26)21(16)23(32)28-18(24(33)34)12-27-22(31)20-5-2-8-35-20/h1-5,8-11,18-19,29-30H,6-7,12H2,(H,27,31)(H,28,32)(H,33,34)/t18-,19?/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LFA1 by ELISA


Bioorg Med Chem Lett 20: 5269-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26333
PNG
(1-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)ph...)
Show SMILES FC(F)(F)c1cc(CN2CCCC2)cc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
Show InChI InChI=1S/C24H24F3N7OS2/c25-24(26,27)16-9-15(13-34-6-1-2-7-34)10-17(11-16)32-22(35)33-23-29-12-18(37-23)3-5-28-21-20-19(4-8-36-20)30-14-31-21/h4,8-12,14H,1-3,5-7,13H2,(H,28,30,31)(H2,29,32,33,35)
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n/an/a 4n/an/an/an/a7.221



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50324824
PNG
((S)-2-(2-(benzofuran-2-carbonyl)-5,7-dichloro-1,2,...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1cc2ccccc2o1 |r|
Show InChI InChI=1S/C27H21Cl2N3O6S/c28-17-10-15-13-32(26(35)20-11-14-4-1-2-5-19(14)38-20)8-7-16(15)23(29)22(17)25(34)31-18(27(36)37)12-30-24(33)21-6-3-9-39-21/h1-6,9-11,18H,7-8,12-13H2,(H,30,33)(H,31,34)(H,36,37)/t18-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay


Bioorg Med Chem Lett 20: 5269-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50324822
PNG
((S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc2ccoc2c1 |r|
Show InChI InChI=1S/C27H21Cl2N3O6S/c28-18-10-16-13-32(26(35)15-4-3-14-6-8-38-20(14)11-15)7-5-17(16)23(29)22(18)25(34)31-19(27(36)37)12-30-24(33)21-2-1-9-39-21/h1-4,6,8-11,19H,5,7,12-13H2,(H,30,33)(H,31,34)(H,36,37)/t19-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay


Bioorg Med Chem Lett 20: 5269-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26322
PNG
(1-(3-methylphenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin...)
Show SMILES Cc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
Show InChI InChI=1S/C19H18N6OS2/c1-12-3-2-4-13(9-12)24-18(26)25-19-21-10-14(28-19)5-7-20-17-16-15(6-8-27-16)22-11-23-17/h2-4,6,8-11H,5,7H2,1H3,(H,20,22,23)(H2,21,24,25,26)
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n/an/a 9n/an/an/an/a7.221



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26326
PNG
(1-(3-chlorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin...)
Show SMILES Clc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
Show InChI InChI=1S/C18H15ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26)
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n/an/a 9n/an/an/an/a7.221



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50324810
PNG
((S)-2-(5,7-dichloro-2-(4-methylbenzoyl)-1,2,3,4-te...)
Show SMILES Cc1ccc(cc1)C(=O)N1CCc2c(C1)cc(Cl)c(C(=O)N[C@@H](CNC(=O)c1cccs1)C(O)=O)c2Cl |r|
Show InChI InChI=1S/C26H23Cl2N3O5S/c1-14-4-6-15(7-5-14)25(34)31-9-8-17-16(13-31)11-18(27)21(22(17)28)24(33)30-19(26(35)36)12-29-23(32)20-3-2-10-37-20/h2-7,10-11,19H,8-9,12-13H2,1H3,(H,29,32)(H,30,33)(H,35,36)/t19-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay


Bioorg Med Chem Lett 20: 5269-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26330
PNG
(1-(3-chloro-4-fluorophenyl)-3-[5-(2-{thieno[3,2-d]...)
Show SMILES Fc1ccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)cc1Cl
Show InChI InChI=1S/C18H14ClFN6OS2/c19-12-7-10(1-2-13(12)20)25-17(27)26-18-22-8-11(29-18)3-5-21-16-15-14(4-6-28-15)23-9-24-16/h1-2,4,6-9H,3,5H2,(H,21,23,24)(H2,22,25,26,27)
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n/an/a 11n/an/an/an/a7.221



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50324823
PNG
((S)-2-(5,7-dichloro-2-(2,3-dihydrobenzofuran-6-car...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc2CCOc2c1 |r|
Show InChI InChI=1S/C27H23Cl2N3O6S/c28-18-10-16-13-32(26(35)15-4-3-14-6-8-38-20(14)11-15)7-5-17(16)23(29)22(18)25(34)31-19(27(36)37)12-30-24(33)21-2-1-9-39-21/h1-4,9-11,19H,5-8,12-13H2,(H,30,33)(H,31,34)(H,36,37)/t19-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay


Bioorg Med Chem Lett 20: 5269-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26329
PNG
(1-(3,4-dichlorophenyl)-3-[5-(2-{thieno[3,2-d]pyrim...)
Show SMILES Clc1ccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)cc1Cl
Show InChI InChI=1S/C18H14Cl2N6OS2/c19-12-2-1-10(7-13(12)20)25-17(27)26-18-22-8-11(29-18)3-5-21-16-15-14(4-6-28-15)23-9-24-16/h1-2,4,6-9H,3,5H2,(H,21,23,24)(H2,22,25,26,27)
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n/an/a 13n/an/an/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26315
PNG
(3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1...)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
Show InChI InChI=1S/C19H15F3N6OS2/c20-19(21,22)11-2-1-3-12(8-11)27-17(29)28-18-24-9-13(31-18)4-6-23-16-15-14(5-7-30-15)25-10-26-16/h1-3,5,7-10H,4,6H2,(H,23,25,26)(H2,24,27,28,29)
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n/an/a 14n/an/an/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26325
PNG
(1-(3-fluorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin...)
Show SMILES Fc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
Show InChI InChI=1S/C18H15FN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26)
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n/an/a 18n/an/an/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26331
PNG
(1-1H-indol-7-yl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-...)
Show SMILES O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1cccc2cc[nH]c12
Show InChI InChI=1S/C20H17N7OS2/c28-19(26-14-3-1-2-12-4-7-21-16(12)14)27-20-23-10-13(30-20)5-8-22-18-17-15(6-9-29-17)24-11-25-18/h1-4,6-7,9-11,21H,5,8H2,(H,22,24,25)(H2,23,26,27,28)
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n/an/a 19n/an/an/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26333
PNG
(1-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)ph...)
Show SMILES FC(F)(F)c1cc(CN2CCCC2)cc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
Show InChI InChI=1S/C24H24F3N7OS2/c25-24(26,27)16-9-15(13-34-6-1-2-7-34)10-17(11-16)32-22(35)33-23-29-12-18(37-23)3-5-28-21-20-19(4-8-36-20)30-14-31-21/h4,8-12,14H,1-3,5-7,13H2,(H,28,30,31)(H2,29,32,33,35)
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n/an/a 22n/an/an/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26315
PNG
(3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1...)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
Show InChI InChI=1S/C19H15F3N6OS2/c20-19(21,22)11-2-1-3-12(8-11)27-17(29)28-18-24-9-13(31-18)4-6-23-16-15-14(5-7-30-15)25-10-26-16/h1-3,5,7-10H,4,6H2,(H,23,25,26)(H2,24,27,28,29)
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n/an/a 22n/an/an/an/a7.221



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50324812
PNG
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H20Cl3N3O5S/c26-15-5-3-13(4-6-15)24(34)31-8-7-16-14(12-31)10-17(27)20(21(16)28)23(33)30-18(25(35)36)11-29-22(32)19-2-1-9-37-19/h1-6,9-10,18H,7-8,11-12H2,(H,29,32)(H,30,33)(H,35,36)/t18-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay


Bioorg Med Chem Lett 20: 5269-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26325
PNG
(1-(3-fluorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin...)
Show SMILES Fc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
Show InChI InChI=1S/C18H15FN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26)
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n/an/a 23n/an/an/an/a7.221



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50324806
PNG
((S,E)-2-(5,7-dichloro-2-(3-(furan-2-yl)acryloyl)-1...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)\C=C\c1ccco1 |r|
Show InChI InChI=1S/C25H21Cl2N3O6S/c26-17-11-14-13-30(20(31)6-5-15-3-1-9-36-15)8-7-16(14)22(27)21(17)24(33)29-18(25(34)35)12-28-23(32)19-4-2-10-37-19/h1-6,9-11,18H,7-8,12-13H2,(H,28,32)(H,29,33)(H,34,35)/b6-5+/t18-/m0/s1
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Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay


Bioorg Med Chem Lett 20: 5269-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50324816
PNG
((S)-3-benzamido-2-(5,7-dichloro-2-(4-chlorobenzoyl...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccccc1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H22Cl3N3O5/c28-18-8-6-16(7-9-18)26(36)33-11-10-19-17(14-33)12-20(29)22(23(19)30)25(35)32-21(27(37)38)13-31-24(34)15-4-2-1-3-5-15/h1-9,12,21H,10-11,13-14H2,(H,31,34)(H,32,35)(H,37,38)/t21-/m0/s1
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Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay


Bioorg Med Chem Lett 20: 5269-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26331
PNG
(1-1H-indol-7-yl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-...)
Show SMILES O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1cccc2cc[nH]c12
Show InChI InChI=1S/C20H17N7OS2/c28-19(26-14-3-1-2-12-4-7-21-16(12)14)27-20-23-10-13(30-20)5-8-22-18-17-15(6-9-29-17)24-11-25-18/h1-4,6-7,9-11,21H,5,8H2,(H,22,24,25)(H2,23,26,27,28)
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n/an/a 30n/an/an/an/a7.221



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26326
PNG
(1-(3-chlorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin...)
Show SMILES Clc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
Show InChI InChI=1S/C18H15ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26)
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n/an/a 31n/an/an/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26327
PNG
(1-(4-chlorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin...)
Show SMILES Clc1ccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)cc1
Show InChI InChI=1S/C18H15ClN6OS2/c19-11-1-3-12(4-2-11)24-17(26)25-18-21-9-13(28-18)5-7-20-16-15-14(6-8-27-15)22-10-23-16/h1-4,6,8-10H,5,7H2,(H,20,22,23)(H2,21,24,25,26)
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Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26324
PNG
(1-(3-ethynylphenyl)-3-[5-(2-{thieno[3,2-d]pyrimidi...)
Show SMILES O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1cccc(c1)C#C
Show InChI InChI=1S/C20H16N6OS2/c1-2-13-4-3-5-14(10-13)25-19(27)26-20-22-11-15(29-20)6-8-21-18-17-16(7-9-28-17)23-12-24-18/h1,3-5,7,9-12H,6,8H2,(H,21,23,24)(H2,22,25,26,27)
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n/an/a 41n/an/an/an/a7.221



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50092956
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-[4-(2-isopropyl-phen...)
Show SMILES CC(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CCN(CC2)C(C)=O)cc1[N+]([O-])=O
Show InChI InChI=1S/C24H27N3O4S/c1-17(2)20-6-4-5-7-22(20)32-23-10-8-19(16-21(23)27(30)31)9-11-24(29)26-14-12-25(13-15-26)18(3)28/h4-11,16-17H,12-15H2,1-3H3/b11-9+
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Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay


Bioorg Med Chem Lett 20: 5269-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26323
PNG
(1-(3-methoxyphenyl)-3-[5-(2-{thieno[3,2-d]pyrimidi...)
Show SMILES COc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
Show InChI InChI=1S/C19H18N6O2S2/c1-27-13-4-2-3-12(9-13)24-18(26)25-19-21-10-14(29-19)5-7-20-17-16-15(6-8-28-16)22-11-23-17/h2-4,6,8-11H,5,7H2,1H3,(H,20,22,23)(H2,21,24,25,26)
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Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26330
PNG
(1-(3-chloro-4-fluorophenyl)-3-[5-(2-{thieno[3,2-d]...)
Show SMILES Fc1ccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)cc1Cl
Show InChI InChI=1S/C18H14ClFN6OS2/c19-12-7-10(1-2-13(12)20)25-17(27)26-18-22-8-11(29-18)3-5-21-16-15-14(4-6-28-15)23-9-24-16/h1-2,4,6-9H,3,5H2,(H,21,23,24)(H2,22,25,26,27)
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Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50324817
PNG
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccco1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H20Cl3N3O6/c26-15-5-3-13(4-6-15)24(34)31-8-7-16-14(12-31)10-17(27)20(21(16)28)23(33)30-18(25(35)36)11-29-22(32)19-2-1-9-37-19/h1-6,9-10,18H,7-8,11-12H2,(H,29,32)(H,30,33)(H,35,36)/t18-/m0/s1
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Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay


Bioorg Med Chem Lett 20: 5269-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26320
PNG
(1-phenyl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino...)
Show SMILES O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1ccccc1
Show InChI InChI=1S/C18H16N6OS2/c25-17(23-12-4-2-1-3-5-12)24-18-20-10-13(27-18)6-8-19-16-15-14(7-9-26-15)21-11-22-16/h1-5,7,9-11H,6,8H2,(H,19,21,22)(H2,20,23,24,25)
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n/an/a 52n/an/an/an/a7.221



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26334
PNG
(1-{3-[2-(azetidin-1-yl)ethyl]phenyl}-3-[5-(2-{thie...)
Show SMILES O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1cccc(CCN2CCC2)c1
Show InChI InChI=1S/C23H25N7OS2/c31-22(28-17-4-1-3-16(13-17)6-11-30-9-2-10-30)29-23-25-14-18(33-23)5-8-24-21-20-19(7-12-32-20)26-15-27-21/h1,3-4,7,12-15H,2,5-6,8-11H2,(H,24,26,27)(H2,25,28,29,31)
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Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26322
PNG
(1-(3-methylphenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin...)
Show SMILES Cc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
Show InChI InChI=1S/C19H18N6OS2/c1-12-3-2-4-13(9-12)24-18(26)25-19-21-10-14(28-19)5-7-20-17-16-15(6-8-27-16)22-11-23-17/h2-4,6,8-11H,5,7H2,1H3,(H,20,22,23)(H2,21,24,25,26)
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Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26332
PNG
(1-cyclohexyl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-yla...)
Show SMILES O=C(NC1CCCCC1)Nc1ncc(CCNc2ncnc3ccsc23)s1
Show InChI InChI=1S/C18H22N6OS2/c25-17(23-12-4-2-1-3-5-12)24-18-20-10-13(27-18)6-8-19-16-15-14(7-9-26-15)21-11-22-16/h7,9-12H,1-6,8H2,(H,19,21,22)(H2,20,23,24,25)
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Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50324811
PNG
((S)-2-(5,7-dichloro-2-(3-chlorobenzoyl)-1,2,3,4-te...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C25H20Cl3N3O5S/c26-15-4-1-3-13(9-15)24(34)31-7-6-16-14(12-31)10-17(27)20(21(16)28)23(33)30-18(25(35)36)11-29-22(32)19-5-2-8-37-19/h1-5,8-10,18H,6-7,11-12H2,(H,29,32)(H,30,33)(H,35,36)/t18-/m0/s1
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Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay


Bioorg Med Chem Lett 20: 5269-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2 (LFA-1)


(Homo sapiens (Human))
BDBM50324824
PNG
((S)-2-(2-(benzofuran-2-carbonyl)-5,7-dichloro-1,2,...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1cc2ccccc2o1 |r|
Show InChI InChI=1S/C27H21Cl2N3O6S/c28-17-10-15-13-32(26(35)20-11-14-4-1-2-5-19(14)38-20)8-7-16(15)23(29)22(17)25(34)31-18(27(36)37)12-30-24(33)21-6-3-9-39-21/h1-6,9-11,18H,7-8,12-13H2,(H,30,33)(H,31,34)(H,36,37)/t18-/m0/s1
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Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated Staphylococcal enterotoxin B-stimulated human T cell activation in presence of 10% fetal bovine serum


Bioorg Med Chem Lett 20: 5269-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50324807
PNG
((S)-2-(2-benzoyl-5,7-dichloro-1,2,3,4-tetrahydrois...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C25H21Cl2N3O5S/c26-17-11-15-13-30(24(33)14-5-2-1-3-6-14)9-8-16(15)21(27)20(17)23(32)29-18(25(34)35)12-28-22(31)19-7-4-10-36-19/h1-7,10-11,18H,8-9,12-13H2,(H,28,31)(H,29,32)(H,34,35)/t18-/m0/s1
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Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay


Bioorg Med Chem Lett 20: 5269-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50324809
PNG
((S)-2-(5,7-dichloro-2-(3-methylbenzoyl)-1,2,3,4-te...)
Show SMILES Cc1cccc(c1)C(=O)N1CCc2c(C1)cc(Cl)c(C(=O)N[C@@H](CNC(=O)c1cccs1)C(O)=O)c2Cl |r|
Show InChI InChI=1S/C26H23Cl2N3O5S/c1-14-4-2-5-15(10-14)25(34)31-8-7-17-16(13-31)11-18(27)21(22(17)28)24(33)30-19(26(35)36)12-29-23(32)20-6-3-9-37-20/h2-6,9-11,19H,7-8,12-13H2,1H3,(H,29,32)(H,30,33)(H,35,36)/t19-/m0/s1
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Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay


Bioorg Med Chem Lett 20: 5269-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26329
PNG
(1-(3,4-dichlorophenyl)-3-[5-(2-{thieno[3,2-d]pyrim...)
Show SMILES Clc1ccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)cc1Cl
Show InChI InChI=1S/C18H14Cl2N6OS2/c19-12-2-1-10(7-13(12)20)25-17(27)26-18-22-8-11(29-18)3-5-21-16-15-14(4-6-28-15)23-9-24-16/h1-2,4,6-9H,3,5H2,(H,21,23,24)(H2,22,25,26,27)
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n/an/a 96n/an/an/an/a7.221



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26334
PNG
(1-{3-[2-(azetidin-1-yl)ethyl]phenyl}-3-[5-(2-{thie...)
Show SMILES O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1cccc(CCN2CCC2)c1
Show InChI InChI=1S/C23H25N7OS2/c31-22(28-17-4-1-3-16(13-17)6-11-30-9-2-10-30)29-23-25-14-18(33-23)5-8-24-21-20-19(7-12-32-20)26-15-27-21/h1,3-4,7,12-15H,2,5-6,8-11H2,(H,24,26,27)(H2,25,28,29,31)
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Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26320
PNG
(1-phenyl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino...)
Show SMILES O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1ccccc1
Show InChI InChI=1S/C18H16N6OS2/c25-17(23-12-4-2-1-3-5-12)24-18-20-10-13(27-18)6-8-19-16-15-14(7-9-26-15)21-11-22-16/h1-5,7,9-11H,6,8H2,(H,19,21,22)(H2,20,23,24,25)
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Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2 (LFA-1)


(Homo sapiens (Human))
BDBM50324811
PNG
((S)-2-(5,7-dichloro-2-(3-chlorobenzoyl)-1,2,3,4-te...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C25H20Cl3N3O5S/c26-15-4-1-3-13(9-15)24(34)31-7-6-16-14(12-31)10-17(27)20(21(16)28)23(33)30-18(25(35)36)11-29-22(32)19-5-2-8-37-19/h1-5,8-10,18H,6-7,11-12H2,(H,29,32)(H,30,33)(H,35,36)/t18-/m0/s1
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Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated Staphylococcal enterotoxin B-stimulated human T cell activation in presence of 10% fetal bovine serum


Bioorg Med Chem Lett 20: 5269-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26314
PNG
(3-[1-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1...)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cn(CCNc3ncnc4ccsc34)nn2)c1
Show InChI InChI=1S/C18H15F3N8OS/c19-18(20,21)11-2-1-3-12(8-11)25-17(30)26-14-9-29(28-27-14)6-5-22-16-15-13(4-7-31-15)23-10-24-16/h1-4,7-10H,5-6H2,(H,22,23,24)(H2,25,26,30)
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Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2 (LFA-1)


(Homo sapiens (Human))
BDBM50324822
PNG
((S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc2ccoc2c1 |r|
Show InChI InChI=1S/C27H21Cl2N3O6S/c28-18-10-16-13-32(26(35)15-4-3-14-6-8-38-20(14)11-15)7-5-17(16)23(29)22(18)25(34)31-19(27(36)37)12-30-24(33)21-2-1-9-39-21/h1-4,6,8-11,19H,5,7,12-13H2,(H,30,33)(H,31,34)(H,36,37)/t19-/m0/s1
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Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated Staphylococcal enterotoxin B-stimulated human T cell activation in presence of 10% fetal bovine serum


Bioorg Med Chem Lett 20: 5269-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26332
PNG
(1-cyclohexyl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-yla...)
Show SMILES O=C(NC1CCCCC1)Nc1ncc(CCNc2ncnc3ccsc23)s1
Show InChI InChI=1S/C18H22N6OS2/c25-17(23-12-4-2-1-3-5-12)24-18-20-10-13(27-18)6-8-19-16-15-14(7-9-26-15)21-11-22-16/h7,9-12H,1-6,8H2,(H,19,21,22)(H2,20,23,24,25)
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Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26328
PNG
(1-(2-chlorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin...)
Show SMILES Clc1ccccc1NC(=O)Nc1ncc(CCNc2ncnc3ccsc23)s1
Show InChI InChI=1S/C18H15ClN6OS2/c19-12-3-1-2-4-13(12)24-17(26)25-18-21-9-11(28-18)5-7-20-16-15-14(6-8-27-15)22-10-23-16/h1-4,6,8-10H,5,7H2,(H,20,22,23)(H2,21,24,25,26)
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Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2 (LFA-1)


(Homo sapiens (Human))
BDBM50324812
PNG
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H20Cl3N3O5S/c26-15-5-3-13(4-6-15)24(34)31-8-7-16-14(12-31)10-17(27)20(21(16)28)23(33)30-18(25(35)36)11-29-22(32)19-2-1-9-37-19/h1-6,9-10,18H,7-8,11-12H2,(H,29,32)(H,30,33)(H,35,36)/t18-/m0/s1
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Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated Staphylococcal enterotoxin B-stimulated human T cell activation in presence of 10% fetal bovine serum


Bioorg Med Chem Lett 20: 5269-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26319
PNG
(2-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1...)
Show SMILES FC(F)(F)c1cccc(NC(=O)Cc2ncc(CCNc3ncnc4ccsc34)s2)c1
Show InChI InChI=1S/C20H16F3N5OS2/c21-20(22,23)12-2-1-3-13(8-12)28-16(29)9-17-25-10-14(31-17)4-6-24-19-18-15(5-7-30-18)26-11-27-19/h1-3,5,7-8,10-11H,4,6,9H2,(H,28,29)(H,24,26,27)
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Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50324808
PNG
((S)-2-(5,7-dichloro-2-(2-methylbenzoyl)-1,2,3,4-te...)
Show SMILES Cc1ccccc1C(=O)N1CCc2c(C1)cc(Cl)c(C(=O)N[C@@H](CNC(=O)c1cccs1)C(O)=O)c2Cl |r|
Show InChI InChI=1S/C26H23Cl2N3O5S/c1-14-5-2-3-6-16(14)25(34)31-9-8-17-15(13-31)11-18(27)21(22(17)28)24(33)30-19(26(35)36)12-29-23(32)20-7-4-10-37-20/h2-7,10-11,19H,8-9,12-13H2,1H3,(H,29,32)(H,30,33)(H,35,36)/t19-/m0/s1
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Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay


Bioorg Med Chem Lett 20: 5269-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50324815
PNG
((S)-3-(cyclohexanecarboxamido)-2-(5,7-dichloro-2-(...)
Show SMILES OC(=O)[C@H](CNC(=O)C1CCCCC1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H28Cl3N3O5/c28-18-8-6-16(7-9-18)26(36)33-11-10-19-17(14-33)12-20(29)22(23(19)30)25(35)32-21(27(37)38)13-31-24(34)15-4-2-1-3-5-15/h6-9,12,15,21H,1-5,10-11,13-14H2,(H,31,34)(H,32,35)(H,37,38)/t21-/m0/s1
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Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay


Bioorg Med Chem Lett 20: 5269-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2 (LFA-1)


(Homo sapiens (Human))
BDBM50324816
PNG
((S)-3-benzamido-2-(5,7-dichloro-2-(4-chlorobenzoyl...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccccc1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H22Cl3N3O5/c28-18-8-6-16(7-9-18)26(36)33-11-10-19-17(14-33)12-20(29)22(23(19)30)25(35)32-21(27(37)38)13-31-24(34)15-4-2-1-3-5-15/h1-9,12,21H,10-11,13-14H2,(H,31,34)(H,32,35)(H,37,38)/t21-/m0/s1
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Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated Staphylococcal enterotoxin B-stimulated human T cell activation in presence of 10% fetal bovine serum


Bioorg Med Chem Lett 20: 5269-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26318
PNG
(N-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1...)
Show SMILES FC(F)(F)c1cccc(CC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
Show InChI InChI=1S/C20H16F3N5OS2/c21-20(22,23)13-3-1-2-12(8-13)9-16(29)28-19-25-10-14(31-19)4-6-24-18-17-15(5-7-30-17)26-11-27-18/h1-3,5,7-8,10-11H,4,6,9H2,(H,24,26,27)(H,25,28,29)
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Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50324814
PNG
((S)-3-acetamido-2-(5,7-dichloro-2-(4-chlorobenzoyl...)
Show SMILES CC(=O)NC[C@H](NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H20Cl3N3O5/c1-11(29)26-9-17(22(32)33)27-20(30)18-16(24)8-13-10-28(7-6-15(13)19(18)25)21(31)12-2-4-14(23)5-3-12/h2-5,8,17H,6-7,9-10H2,1H3,(H,26,29)(H,27,30)(H,32,33)/t17-/m0/s1
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Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay


Bioorg Med Chem Lett 20: 5269-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB
More data for this
Ligand-Target Pair
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