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Compile Data Set for Download or QSAR

Found 1269 hits with Last Name = 'deng' and Initial = 'w'   
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
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50434655
PNG
(CHEMBL2387464)
Show SMILES F[C@H]1CNCC[C@@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncc(cc34)-c3ccccc3F)c2n1 |r|
Show InChI InChI=1S/C26H24F2N8O/c27-20-4-2-1-3-17(20)16-9-18-22(14-32-24(18)31-11-16)34-26(37)19-12-33-36-8-6-23(35-25(19)36)30-10-15-5-7-29-13-21(15)28/h1-4,6,8-9,11-12,14-15,21,29H,5,7,10,13H2,(H,30,35)(H,31,32)(H,34,37)/t15-,21+/m1/s1
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0.00300n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50434654
PNG
(CHEMBL2387465)
Show SMILES F[C@H]1CNCC[C@@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncc(cc34)-c3c(F)cccc3F)c2n1 |r|
Show InChI InChI=1S/C26H23F3N8O/c27-18-2-1-3-19(28)23(18)15-8-16-21(13-33-24(16)32-10-15)35-26(38)17-11-34-37-7-5-22(36-25(17)37)31-9-14-4-6-30-12-20(14)29/h1-3,5,7-8,10-11,13-14,20,30H,4,6,9,12H2,(H,31,36)(H,32,33)(H,35,38)/t14-,20+/m1/s1
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0.00700n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50434656
PNG
(CHEMBL2387463)
Show SMILES Fc1ccccc1-c1cnc2[nH]cc(NC(=O)c3cnn4ccc(NCC5CCNCC5)nc34)c2c1
Show InChI InChI=1S/C26H25FN8O/c27-21-4-2-1-3-18(21)17-11-19-22(15-31-24(19)30-13-17)33-26(36)20-14-32-35-10-7-23(34-25(20)35)29-12-16-5-8-28-9-6-16/h1-4,7,10-11,13-16,28H,5-6,8-9,12H2,(H,29,34)(H,30,31)(H,33,36)
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0.00700n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50434666
PNG
(CHEMBL2387471)
Show SMILES Fc1cccc(F)c1-c1cnc2[nH]cc(NC(=O)c3cnn4ccc(NCC5CCNCC5)nc34)c2c1
Show InChI InChI=1S/C26H24F2N8O/c27-19-2-1-3-20(28)23(19)16-10-17-21(14-32-24(17)31-12-16)34-26(37)18-13-33-36-9-6-22(35-25(18)36)30-11-15-4-7-29-8-5-15/h1-3,6,9-10,12-15,29H,4-5,7-8,11H2,(H,30,35)(H,31,32)(H,34,37)
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0.00900n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50434655
PNG
(CHEMBL2387464)
Show SMILES F[C@H]1CNCC[C@@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncc(cc34)-c3ccccc3F)c2n1 |r|
Show InChI InChI=1S/C26H24F2N8O/c27-20-4-2-1-3-17(20)16-9-18-22(14-32-24(18)31-11-16)34-26(37)19-12-33-36-8-6-23(35-25(19)36)30-10-15-5-7-29-13-21(15)28/h1-4,6,8-9,11-12,14-15,21,29H,5,7,10,13H2,(H,30,35)(H,31,32)(H,34,37)/t15-,21+/m1/s1
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0.00900n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50434658
PNG
(CHEMBL2387479)
Show SMILES F[C@@H]1CNCC[C@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncccc34)c2n1 |r|
Show InChI InChI=1S/C20H21FN8O/c21-15-10-22-6-3-12(15)8-24-17-4-7-29-19(28-17)14(9-26-29)20(30)27-16-11-25-18-13(16)2-1-5-23-18/h1-2,4-5,7,9,11-12,15,22H,3,6,8,10H2,(H,23,25)(H,24,28)(H,27,30)/t12-,15+/m0/s1
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0.0110n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50434663
PNG
(CHEMBL2387474)
Show SMILES Fc1cccc(F)c1-c1cnc2[nH]cc(NC(=O)c3cnn4ccc(CCC5CCNCC5)nc34)c2c1
Show InChI InChI=1S/C27H25F2N7O/c28-21-2-1-3-22(29)24(21)17-12-19-23(15-32-25(19)31-13-17)35-27(37)20-14-33-36-11-8-18(34-26(20)36)5-4-16-6-9-30-10-7-16/h1-3,8,11-16,30H,4-7,9-10H2,(H,31,32)(H,35,37)
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0.0150n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50434657
PNG
(CHEMBL2387462)
Show SMILES FC1(CNc2ccn3ncc(C(=O)Nc4c[nH]c5ncccc45)c3n2)CCNCC1
Show InChI InChI=1S/C20H21FN8O/c21-20(4-7-22-8-5-20)12-25-16-3-9-29-18(28-16)14(10-26-29)19(30)27-15-11-24-17-13(15)2-1-6-23-17/h1-3,6,9-11,22H,4-5,7-8,12H2,(H,23,24)(H,25,28)(H,27,30)
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0.0160n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50434654
PNG
(CHEMBL2387465)
Show SMILES F[C@H]1CNCC[C@@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncc(cc34)-c3c(F)cccc3F)c2n1 |r|
Show InChI InChI=1S/C26H23F3N8O/c27-18-2-1-3-19(28)23(18)15-8-16-21(13-33-24(16)32-10-15)35-26(38)17-11-34-37-7-5-22(36-25(17)37)31-9-14-4-6-30-12-20(14)29/h1-3,5,7-8,10-11,13-14,20,30H,4,6,9,12H2,(H,31,36)(H,32,33)(H,35,38)/t14-,20+/m1/s1
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0.0190n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50434656
PNG
(CHEMBL2387463)
Show SMILES Fc1ccccc1-c1cnc2[nH]cc(NC(=O)c3cnn4ccc(NCC5CCNCC5)nc34)c2c1
Show InChI InChI=1S/C26H25FN8O/c27-21-4-2-1-3-18(21)17-11-19-22(15-31-24(19)30-13-17)33-26(36)20-14-32-35-10-7-23(34-25(20)35)29-12-16-5-8-28-9-6-16/h1-4,7,10-11,13-16,28H,5-6,8-9,12H2,(H,29,34)(H,30,31)(H,33,36)
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0.0220n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50434666
PNG
(CHEMBL2387471)
Show SMILES Fc1cccc(F)c1-c1cnc2[nH]cc(NC(=O)c3cnn4ccc(NCC5CCNCC5)nc34)c2c1
Show InChI InChI=1S/C26H24F2N8O/c27-19-2-1-3-20(28)23(19)16-10-17-21(14-32-24(17)31-12-16)34-26(37)18-13-33-36-9-6-22(35-25(18)36)30-11-15-4-7-29-8-5-15/h1-3,6,9-10,12-15,29H,4-5,7-8,11H2,(H,30,35)(H,31,32)(H,34,37)
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0.0220n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50434658
PNG
(CHEMBL2387479)
Show SMILES F[C@@H]1CNCC[C@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncccc34)c2n1 |r|
Show InChI InChI=1S/C20H21FN8O/c21-15-10-22-6-3-12(15)8-24-17-4-7-29-19(28-17)14(9-26-29)20(30)27-16-11-25-18-13(16)2-1-5-23-18/h1-2,4-5,7,9,11-12,15,22H,3,6,8,10H2,(H,23,25)(H,24,28)(H,27,30)/t12-,15+/m0/s1
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0.0220n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50434659
PNG
(CHEMBL2387478)
Show SMILES F[C@H]1CNCC[C@@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncccc34)c2n1 |r|
Show InChI InChI=1S/C20H21FN8O/c21-15-10-22-6-3-12(15)8-24-17-4-7-29-19(28-17)14(9-26-29)20(30)27-16-11-25-18-13(16)2-1-5-23-18/h1-2,4-5,7,9,11-12,15,22H,3,6,8,10H2,(H,23,25)(H,24,28)(H,27,30)/t12-,15+/m1/s1
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0.0250n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50434663
PNG
(CHEMBL2387474)
Show SMILES Fc1cccc(F)c1-c1cnc2[nH]cc(NC(=O)c3cnn4ccc(CCC5CCNCC5)nc34)c2c1
Show InChI InChI=1S/C27H25F2N7O/c28-21-2-1-3-22(29)24(21)17-12-19-23(15-32-25(19)31-13-17)35-27(37)20-14-33-36-11-8-18(34-26(20)36)5-4-16-6-9-30-10-7-16/h1-3,8,11-16,30H,4-7,9-10H2,(H,31,32)(H,35,37)
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0.0250n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50434655
PNG
(CHEMBL2387464)
Show SMILES F[C@H]1CNCC[C@@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncc(cc34)-c3ccccc3F)c2n1 |r|
Show InChI InChI=1S/C26H24F2N8O/c27-20-4-2-1-3-17(20)16-9-18-22(14-32-24(18)31-11-16)34-26(37)19-12-33-36-8-6-23(35-25(19)36)30-10-15-5-7-29-13-21(15)28/h1-4,6,8-9,11-12,14-15,21,29H,5,7,10,13H2,(H,30,35)(H,31,32)(H,34,37)/t15-,21+/m1/s1
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0.0320n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM2 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50434667
PNG
(CHEMBL2387470)
Show SMILES O=C(Nc1c[nH]c2ncccc12)c1cnn2ccc(NCC3CCNCC3)nc12
Show InChI InChI=1S/C20H22N8O/c29-20(26-16-12-24-18-14(16)2-1-6-22-18)15-11-25-28-9-5-17(27-19(15)28)23-10-13-3-7-21-8-4-13/h1-2,5-6,9,11-13,21H,3-4,7-8,10H2,(H,22,24)(H,23,27)(H,26,29)
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0.0360n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50434657
PNG
(CHEMBL2387462)
Show SMILES FC1(CNc2ccn3ncc(C(=O)Nc4c[nH]c5ncccc45)c3n2)CCNCC1
Show InChI InChI=1S/C20H21FN8O/c21-20(4-7-22-8-5-20)12-25-16-3-9-29-18(28-16)14(10-26-29)19(30)27-15-11-24-17-13(15)2-1-6-23-17/h1-3,6,9-11,22H,4-5,7-8,12H2,(H,23,24)(H,25,28)(H,27,30)
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0.0360n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50434654
PNG
(CHEMBL2387465)
Show SMILES F[C@H]1CNCC[C@@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncc(cc34)-c3c(F)cccc3F)c2n1 |r|
Show InChI InChI=1S/C26H23F3N8O/c27-18-2-1-3-19(28)23(18)15-8-16-21(13-33-24(16)32-10-15)35-26(38)17-11-34-37-7-5-22(36-25(17)37)31-9-14-4-6-30-12-20(14)29/h1-3,5,7-8,10-11,13-14,20,30H,4,6,9,12H2,(H,31,36)(H,32,33)(H,35,38)/t14-,20+/m1/s1
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0.0370n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM2 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50434664
PNG
(CHEMBL2387473)
Show SMILES Fc1cccc(F)c1-c1ccc2[nH]cc(NC(=O)c3cnn4ccc(NCC5CCNCC5)nc34)c2n1
Show InChI InChI=1S/C26H24F2N8O/c27-17-2-1-3-18(28)23(17)19-4-5-20-24(33-19)21(14-30-20)34-26(37)16-13-32-36-11-8-22(35-25(16)36)31-12-15-6-9-29-10-7-15/h1-5,8,11,13-15,29-30H,6-7,9-10,12H2,(H,31,35)(H,34,37)
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0.0380n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50434650
PNG
(CHEMBL2387469)
Show SMILES O=C(Nc1c[nH]c2ncccc12)c1cnn2ccc(NCCc3ccccc3)nc12
Show InChI InChI=1S/C22H19N7O/c30-22(27-18-14-25-20-16(18)7-4-10-24-20)17-13-26-29-12-9-19(28-21(17)29)23-11-8-15-5-2-1-3-6-15/h1-7,9-10,12-14H,8,11H2,(H,23,28)(H,24,25)(H,27,30)
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0.0400n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50434662
PNG
(CHEMBL2387475)
Show SMILES Fc1cccc(F)c1-c1cnc2[nH]cc(NC(=O)c3cnn4ccc(OCC5CCNCC5)nc34)c2c1
Show InChI InChI=1S/C26H23F2N7O2/c27-19-2-1-3-20(28)23(19)16-10-17-21(13-31-24(17)30-11-16)33-26(36)18-12-32-35-9-6-22(34-25(18)35)37-14-15-4-7-29-8-5-15/h1-3,6,9-13,15,29H,4-5,7-8,14H2,(H,30,31)(H,33,36)
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0.0400n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50434651
PNG
(CHEMBL2387468)
Show SMILES O=C(Nc1c[nH]c2ncccc12)c1c[nH]n2c1nc(Cc1ccc(cc1)C#N)cc2=O
Show InChI InChI=1S/C22H15N7O2/c23-10-14-5-3-13(4-6-14)8-15-9-19(30)29-21(27-15)17(11-26-29)22(31)28-18-12-25-20-16(18)2-1-7-24-20/h1-7,9,11-12,26H,8H2,(H,24,25)(H,28,31)
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0.0520n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50434667
PNG
(CHEMBL2387470)
Show SMILES O=C(Nc1c[nH]c2ncccc12)c1cnn2ccc(NCC3CCNCC3)nc12
Show InChI InChI=1S/C20H22N8O/c29-20(26-16-12-24-18-14(16)2-1-6-22-18)15-11-25-28-9-5-17(27-19(15)28)23-10-13-3-7-21-8-4-13/h1-2,5-6,9,11-13,21H,3-4,7-8,10H2,(H,22,24)(H,23,27)(H,26,29)
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0.0530n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50434660
PNG
(CHEMBL2387477)
Show SMILES F[C@@H]1CNCC[C@@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncccc34)c2n1 |r|
Show InChI InChI=1S/C20H21FN8O/c21-15-10-22-6-3-12(15)8-24-17-4-7-29-19(28-17)14(9-26-29)20(30)27-16-11-25-18-13(16)2-1-5-23-18/h1-2,4-5,7,9,11-12,15,22H,3,6,8,10H2,(H,23,25)(H,24,28)(H,27,30)/t12-,15-/m1/s1
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0.0570n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50434659
PNG
(CHEMBL2387478)
Show SMILES F[C@H]1CNCC[C@@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncccc34)c2n1 |r|
Show InChI InChI=1S/C20H21FN8O/c21-15-10-22-6-3-12(15)8-24-17-4-7-29-19(28-17)14(9-26-29)20(30)27-16-11-25-18-13(16)2-1-5-23-18/h1-2,4-5,7,9,11-12,15,22H,3,6,8,10H2,(H,23,25)(H,24,28)(H,27,30)/t12-,15+/m1/s1
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0.0610n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50434665
PNG
(CHEMBL2387472)
Show SMILES Fc1cccc(F)c1-c1ccc2[nH]cc(NC(=O)c3cnn4ccc(NCC5CCNCC5)nc34)c2c1
Show InChI InChI=1S/C27H25F2N7O/c28-20-2-1-3-21(29)25(20)17-4-5-22-18(12-17)23(15-31-22)34-27(37)19-14-33-36-11-8-24(35-26(19)36)32-13-16-6-9-30-10-7-16/h1-5,8,11-12,14-16,30-31H,6-7,9-10,13H2,(H,32,35)(H,34,37)
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0.0610n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50434662
PNG
(CHEMBL2387475)
Show SMILES Fc1cccc(F)c1-c1cnc2[nH]cc(NC(=O)c3cnn4ccc(OCC5CCNCC5)nc34)c2c1
Show InChI InChI=1S/C26H23F2N7O2/c27-19-2-1-3-20(28)23(19)16-10-17-21(13-31-24(17)30-11-16)33-26(36)18-12-32-35-9-6-22(34-25(18)35)37-14-15-4-7-29-8-5-15/h1-3,6,9-13,15,29H,4-5,7-8,14H2,(H,30,31)(H,33,36)
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0.0620n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50434661
PNG
(CHEMBL2387476)
Show SMILES F[C@H]1CNCC[C@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncccc34)c2n1 |r|
Show InChI InChI=1S/C20H21FN8O/c21-15-10-22-6-3-12(15)8-24-17-4-7-29-19(28-17)14(9-26-29)20(30)27-16-11-25-18-13(16)2-1-5-23-18/h1-2,4-5,7,9,11-12,15,22H,3,6,8,10H2,(H,23,25)(H,24,28)(H,27,30)/t12-,15-/m0/s1
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0.0740n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50434666
PNG
(CHEMBL2387471)
Show SMILES Fc1cccc(F)c1-c1cnc2[nH]cc(NC(=O)c3cnn4ccc(NCC5CCNCC5)nc34)c2c1
Show InChI InChI=1S/C26H24F2N8O/c27-19-2-1-3-20(28)23(19)16-10-17-21(14-32-24(17)31-12-16)34-26(37)18-13-33-36-9-6-22(35-25(18)36)30-11-15-4-7-29-8-5-15/h1-3,6,9-10,12-15,29H,4-5,7-8,11H2,(H,30,35)(H,31,32)(H,34,37)
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0.0760n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM2 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50434656
PNG
(CHEMBL2387463)
Show SMILES Fc1ccccc1-c1cnc2[nH]cc(NC(=O)c3cnn4ccc(NCC5CCNCC5)nc34)c2c1
Show InChI InChI=1S/C26H25FN8O/c27-21-4-2-1-3-18(21)17-11-19-22(15-31-24(19)30-13-17)33-26(36)20-14-32-35-10-7-23(34-25(20)35)29-12-16-5-8-28-9-6-16/h1-4,7,10-11,13-16,28H,5-6,8-9,12H2,(H,29,34)(H,30,31)(H,33,36)
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0.0940n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM2 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50434664
PNG
(CHEMBL2387473)
Show SMILES Fc1cccc(F)c1-c1ccc2[nH]cc(NC(=O)c3cnn4ccc(NCC5CCNCC5)nc34)c2n1
Show InChI InChI=1S/C26H24F2N8O/c27-17-2-1-3-18(28)23(17)19-4-5-20-24(33-19)21(14-30-20)34-26(37)16-13-32-36-11-8-22(35-25(16)36)31-12-15-6-9-29-10-7-15/h1-5,8,11,13-15,29-30H,6-7,9-10,12H2,(H,31,35)(H,34,37)
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0.0980n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50434665
PNG
(CHEMBL2387472)
Show SMILES Fc1cccc(F)c1-c1ccc2[nH]cc(NC(=O)c3cnn4ccc(NCC5CCNCC5)nc34)c2c1
Show InChI InChI=1S/C27H25F2N7O/c28-20-2-1-3-21(29)25(20)17-4-5-22-18(12-17)23(15-31-22)34-27(37)19-14-33-36-11-8-24(35-26(19)36)32-13-16-6-9-30-10-7-16/h1-5,8,11-12,14-16,30-31H,6-7,9-10,13H2,(H,32,35)(H,34,37)
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0.140n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50434663
PNG
(CHEMBL2387474)
Show SMILES Fc1cccc(F)c1-c1cnc2[nH]cc(NC(=O)c3cnn4ccc(CCC5CCNCC5)nc34)c2c1
Show InChI InChI=1S/C27H25F2N7O/c28-21-2-1-3-22(29)24(21)17-12-19-23(15-32-25(19)31-13-17)35-27(37)20-14-33-36-11-8-18(34-26(20)36)5-4-16-6-9-30-10-7-16/h1-3,8,11-16,30H,4-7,9-10H2,(H,31,32)(H,35,37)
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0.170n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM2 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50434650
PNG
(CHEMBL2387469)
Show SMILES O=C(Nc1c[nH]c2ncccc12)c1cnn2ccc(NCCc3ccccc3)nc12
Show InChI InChI=1S/C22H19N7O/c30-22(27-18-14-25-20-16(18)7-4-10-24-20)17-13-26-29-12-9-19(28-21(17)29)23-11-8-15-5-2-1-3-6-15/h1-7,9-10,12-14H,8,11H2,(H,23,28)(H,24,25)(H,27,30)
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0.190n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50434661
PNG
(CHEMBL2387476)
Show SMILES F[C@H]1CNCC[C@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncccc34)c2n1 |r|
Show InChI InChI=1S/C20H21FN8O/c21-15-10-22-6-3-12(15)8-24-17-4-7-29-19(28-17)14(9-26-29)20(30)27-16-11-25-18-13(16)2-1-5-23-18/h1-2,4-5,7,9,11-12,15,22H,3,6,8,10H2,(H,23,25)(H,24,28)(H,27,30)/t12-,15-/m0/s1
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0.260n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50434660
PNG
(CHEMBL2387477)
Show SMILES F[C@@H]1CNCC[C@@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncccc34)c2n1 |r|
Show InChI InChI=1S/C20H21FN8O/c21-15-10-22-6-3-12(15)8-24-17-4-7-29-19(28-17)14(9-26-29)20(30)27-16-11-25-18-13(16)2-1-5-23-18/h1-2,4-5,7,9,11-12,15,22H,3,6,8,10H2,(H,23,25)(H,24,28)(H,27,30)/t12-,15-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50434664
PNG
(CHEMBL2387473)
Show SMILES Fc1cccc(F)c1-c1ccc2[nH]cc(NC(=O)c3cnn4ccc(NCC5CCNCC5)nc34)c2n1
Show InChI InChI=1S/C26H24F2N8O/c27-17-2-1-3-18(28)23(17)19-4-5-20-24(33-19)21(14-30-20)34-26(37)16-13-32-36-11-8-22(35-25(16)36)31-12-15-6-9-29-10-7-15/h1-5,8,11,13-15,29-30H,6-7,9-10,12H2,(H,31,35)(H,34,37)
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0.520n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM2 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM29589
PNG
(Faridak | LBH-589 | LBH-589B | Panobinostat)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
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0.600n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC4 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50434651
PNG
(CHEMBL2387468)
Show SMILES O=C(Nc1c[nH]c2ncccc12)c1c[nH]n2c1nc(Cc1ccc(cc1)C#N)cc2=O
Show InChI InChI=1S/C22H15N7O2/c23-10-14-5-3-13(4-6-14)8-15-9-19(30)29-21(27-15)17(11-26-29)22(31)28-18-12-25-20-16(18)2-1-7-24-20/h1-7,9,11-12,26H,8H2,(H,24,25)(H,28,31)
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0.610n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50434662
PNG
(CHEMBL2387475)
Show SMILES Fc1cccc(F)c1-c1cnc2[nH]cc(NC(=O)c3cnn4ccc(OCC5CCNCC5)nc34)c2c1
Show InChI InChI=1S/C26H23F2N7O2/c27-19-2-1-3-20(28)23(19)16-10-17-21(13-31-24(17)30-11-16)33-26(36)18-12-32-35-9-6-22(34-25(18)35)37-14-15-4-7-29-8-5-15/h1-3,6,9-13,15,29H,4-5,7-8,14H2,(H,30,31)(H,33,36)
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0.650n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM2 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM29589
PNG
(Faridak | LBH-589 | LBH-589B | Panobinostat)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
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0.700n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC6 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM29589
PNG
(Faridak | LBH-589 | LBH-589B | Panobinostat)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
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0.700n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC5 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50434652
PNG
(CHEMBL2387467)
Show SMILES Fc1ccc(NC(=O)c2c[nH]n3c2nc(Cc2ccc(cc2)C#N)cc3=O)cc1
Show InChI InChI=1S/C21H14FN5O2/c22-15-5-7-16(8-6-15)26-21(29)18-12-24-27-19(28)10-17(25-20(18)27)9-13-1-3-14(11-23)4-2-13/h1-8,10,12,24H,9H2,(H,26,29)
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1.10n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM29589
PNG
(Faridak | LBH-589 | LBH-589B | Panobinostat)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
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1.20n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC9 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50434665
PNG
(CHEMBL2387472)
Show SMILES Fc1cccc(F)c1-c1ccc2[nH]cc(NC(=O)c3cnn4ccc(NCC5CCNCC5)nc34)c2c1
Show InChI InChI=1S/C27H25F2N7O/c28-20-2-1-3-21(29)25(20)17-4-5-22-18(12-17)23(15-31-22)34-27(37)19-14-33-36-11-8-24(35-26(19)36)32-13-16-6-9-30-10-7-16/h1-5,8,11-12,14-16,30-31H,6-7,9-10,13H2,(H,32,35)(H,34,37)
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1.30n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM2 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM29589
PNG
(Faridak | LBH-589 | LBH-589B | Panobinostat)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
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1.90n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC2 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50434658
PNG
(CHEMBL2387479)
Show SMILES F[C@@H]1CNCC[C@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncccc34)c2n1 |r|
Show InChI InChI=1S/C20H21FN8O/c21-15-10-22-6-3-12(15)8-24-17-4-7-29-19(28-17)14(9-26-29)20(30)27-16-11-25-18-13(16)2-1-5-23-18/h1-2,4-5,7,9,11-12,15,22H,3,6,8,10H2,(H,23,25)(H,24,28)(H,27,30)/t12-,15+/m0/s1
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2n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM2 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50434650
PNG
(CHEMBL2387469)
Show SMILES O=C(Nc1c[nH]c2ncccc12)c1cnn2ccc(NCCc3ccccc3)nc12
Show InChI InChI=1S/C22H19N7O/c30-22(27-18-14-25-20-16(18)7-4-10-24-20)17-13-26-29-12-9-19(28-21(17)29)23-11-8-15-5-2-1-3-6-15/h1-7,9-10,12-14H,8,11H2,(H,23,28)(H,24,25)(H,27,30)
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2.20n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM2 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM29589
PNG
(Faridak | LBH-589 | LBH-589B | Panobinostat)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
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2.30n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC3 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM29589
PNG
(Faridak | LBH-589 | LBH-589B | Panobinostat)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
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2.30n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC7 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
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