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Compile Data Set for Download or QSAR

Found 1921 hits with Last Name = 'fan' and Initial = 'e'   
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))
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-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))
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


(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-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


(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))
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-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
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM239073
PNG
(US9416103, CP-55,940)
Show SMILES CCCCCCC(C)(C)c1ccc(C2CC(O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20?,22?/s2
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US Patent
0.370 -53.8n/an/an/an/an/an/a25



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
Competition receptor binding was performed as previously described [Shoemaker et al., J. Pharmacol. Exp. Ther., 314:868-75]. Briefly, 50 μg of mou...


US Patent US9416103 (2016)


BindingDB Entry DOI: 10.7270/Q2HX1BKQ
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
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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM239078
PNG
(US9416103, TV-5-157)
Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(OC)c12
Show InChI InChI=1S/C24H23NO2/c1-3-4-15-25-16-21(19-12-8-14-22(27-2)23(19)25)24(26)20-13-7-10-17-9-5-6-11-18(17)20/h5-14,16H,3-4,15H2,1-2H3
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US Patent
0.810n/an/an/an/an/an/an/an/a



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
A functional assay screen for the inhibition of adenylate cyclase (AC) activity was chosen as the subsequent assay. This screen would allow us to gai...


US Patent US9416103 (2016)


BindingDB Entry DOI: 10.7270/Q2HX1BKQ
More data for this
Ligand-Target Pair
HTR7


(GUINEA PIG)
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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1n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




J Neurochem 63: 456-64 (1994)


Article DOI: 10.1046/j.1471-4159.1994.63020456.x
BindingDB Entry DOI: 10.7270/Q2N8788T
More data for this
Ligand-Target Pair
HTR7


(GUINEA PIG)
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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1n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




J Neurochem 63: 456-64 (1994)


Article DOI: 10.1046/j.1471-4159.1994.63020456.x
BindingDB Entry DOI: 10.7270/Q2N8788T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049091
PNG
(2-(5-Heptyloxy-1H-indol-3-yl)-ethylamine | CHEMBL3...)
Show SMILES CCCCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C17H26N2O/c1-2-3-4-5-6-11-20-15-7-8-17-16(12-15)14(9-10-18)13-19-17/h7-8,12-13,19H,2-6,9-11,18H2,1H3
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1n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049082
PNG
(2-(5-Octyloxy-1H-indol-3-yl)-ethylamine | CHEMBL32...)
Show SMILES CCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C18H28N2O/c1-2-3-4-5-6-7-12-21-16-8-9-18-17(13-16)15(10-11-19)14-20-18/h8-9,13-14,20H,2-7,10-12,19H2,1H3
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1n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049093
PNG
(CHEMBL321190 | Nonanoic acid 3-(2-dimethylamino-et...)
Show SMILES CCCCCCCCC(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C21H32N2O2/c1-4-5-6-7-8-9-10-21(24)25-18-11-12-20-19(15-18)17(16-22-20)13-14-23(2)3/h11-12,15-16,22H,4-10,13-14H2,1-3H3
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1.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
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
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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50049085
PNG
(1-[3-(2-Amino-ethyl)-1H-indol-5-yl]-ethanone | Ace...)
Show SMILES CC(=O)c1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C12H14N2O/c1-8(15)9-2-3-12-11(6-9)10(4-5-13)7-14-12/h2-3,6-7,14H,4-5,13H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro affinity at human cloned 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50049077
PNG
(2-(5-Pentyloxy-1H-indol-3-yl)-ethylamine | CHEMBL1...)
Show SMILES CCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C15H22N2O/c1-2-3-4-9-18-13-5-6-15-14(10-13)12(7-8-16)11-17-15/h5-6,10-11,17H,2-4,7-9,16H2,1H3
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1.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro affitnity human cloned 5-hydroxytryptamine 1D receptor alpha by [3H]-5-HT displacement.


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
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