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Compile Data Set for Download or QSAR

Found 55 hits Enz. Inhib. hit(s) with all data for entry = 50012671   
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-1


(Homo sapiens (Human))
BDBM50559296
PNG
(CHEMBL4781892)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@@]1(O)CF)c1ccncc1NC(=O)c1nc(ncc1N)-c1c(F)cccc1F |r|
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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50559297
PNG
(CHEMBL4763702)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@@]1(O)CF)c1ccncc1NC(=O)c1nc(ccc1N)-c1ncccc1F |r|
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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50559298
PNG
(CHEMBL4742957)
Show SMILES CC[C@@]1(O)[C@@H](C)C[C@H](C[C@H]1O)c1ccncc1NC(=O)c1nc(ccc1N)-c1ncccc1F |r|
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50559299
PNG
(CHEMBL4781112)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1nc(ccc1N)-c1ncccc1F |r|
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50559300
PNG
(CHEMBL4796070)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1nc(ccc1N)-c1c(F)cccc1F |r|
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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50559301
PNG
(CHEMBL4758068)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1nc(ncc1N)-c1c(F)cccc1F |r|
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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50559304
PNG
(CHEMBL4783935)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1csc(n1)-c1c(F)cccc1F |r|
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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106896
PNG
(US8592455, 96)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C23H22F3N5O2/c1-12-10-31(11-16(27)22(12)32)19-7-8-28-9-18(19)30-23(33)17-6-5-15(26)21(29-17)20-13(24)3-2-4-14(20)25/h2-9,12,16,22,32H,10-11,27H2,1H3,(H,30,33)/t12-,16+,22+/m0/s1
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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106870
PNG
(US8592455, 70)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C24H23F3N4O/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26/h2-8,12-15H,9-11,28H2,1H3,(H,31,32)/t13-,14+,15-/m0/s1
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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106801
PNG
(US8592455, 1)
Show SMILES C[C@@H]1C[C@H](O)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;2,2.69,;.67,1.93,;2,4.23,;3.33,5,;4.67,4.23,;4.67,2.69,;6,1.93,)|
Show InChI InChI=1S/C24H22F3N3O2/c1-13-9-14(11-15(31)10-13)16-7-8-28-12-21(16)30-24(32)20-6-5-19(27)23(29-20)22-17(25)3-2-4-18(22)26/h2-8,12-15,31H,9-11H2,1H3,(H,30,32)/t13-,14+,15-/m0/s1
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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106917
PNG
(US8592455, 117)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.8,wD:3.9,1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.39,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C24H22F3N3O3/c1-12-9-13(10-20(31)23(12)32)14-7-8-28-11-19(14)30-24(33)18-6-5-17(27)22(29-18)21-15(25)3-2-4-16(21)26/h2-8,11-13,20,23,31-32H,9-10H2,1H3,(H,30,33)/t12-,13+,20+,23+/m0/s1
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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50559303
PNG
(CHEMBL4741855)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.9,wD:1.0,5.5,3.10,(30.93,-25.95,;32.26,-26.73,;32.26,-28.27,;33.59,-29.05,;34.92,-28.29,;34.94,-26.75,;36.27,-25.99,;33.6,-25.96,;32.82,-24.63,;34.37,-24.62,;33.57,-30.59,;32.24,-31.35,;32.23,-32.89,;33.56,-33.67,;34.9,-32.91,;34.9,-31.37,;36.25,-30.61,;37.58,-31.38,;37.56,-32.92,;38.91,-30.62,;40.24,-31.4,;41.58,-30.63,;41.59,-29.09,;42.93,-28.33,;40.26,-28.32,;38.92,-29.08,;40.27,-26.78,;38.94,-26,;37.6,-26.76,;38.95,-24.46,;40.29,-23.7,;41.62,-24.47,;41.61,-26.01,;42.93,-26.79,)|
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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50559302
PNG
(CHEMBL4792066)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM106896
PNG
(US8592455, 96)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C23H22F3N5O2/c1-12-10-31(11-16(27)22(12)32)19-7-8-28-9-18(19)30-23(33)17-6-5-15(26)21(29-17)20-13(24)3-2-4-14(20)25/h2-9,12,16,22,32H,10-11,27H2,1H3,(H,30,33)/t12-,16+,22+/m0/s1
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<3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM2 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM106896
PNG
(US8592455, 96)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C23H22F3N5O2/c1-12-10-31(11-16(27)22(12)32)19-7-8-28-9-18(19)30-23(33)17-6-5-15(26)21(29-17)20-13(24)3-2-4-14(20)25/h2-9,12,16,22,32H,10-11,27H2,1H3,(H,30,33)/t12-,16+,22+/m0/s1
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<3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM3 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM106870
PNG
(US8592455, 70)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C24H23F3N4O/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26/h2-8,12-15H,9-11,28H2,1H3,(H,31,32)/t13-,14+,15-/m0/s1
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<3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM3 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM106801
PNG
(US8592455, 1)
Show SMILES C[C@@H]1C[C@H](O)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;2,2.69,;.67,1.93,;2,4.23,;3.33,5,;4.67,4.23,;4.67,2.69,;6,1.93,)|
Show InChI InChI=1S/C24H22F3N3O2/c1-13-9-14(11-15(31)10-13)16-7-8-28-12-21(16)30-24(32)20-6-5-19(27)23(29-20)22-17(25)3-2-4-18(22)26/h2-8,12-15,31H,9-11H2,1H3,(H,30,32)/t13-,14+,15-/m0/s1
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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM3 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM106917
PNG
(US8592455, 117)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.8,wD:3.9,1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.39,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C24H22F3N3O3/c1-12-9-13(10-20(31)23(12)32)14-7-8-28-11-19(14)30-24(33)18-6-5-17(27)22(29-18)21-15(25)3-2-4-16(21)26/h2-8,11-13,20,23,31-32H,9-10H2,1H3,(H,30,33)/t12-,13+,20+,23+/m0/s1
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<3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM3 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50559303
PNG
(CHEMBL4741855)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.9,wD:1.0,5.5,3.10,(30.93,-25.95,;32.26,-26.73,;32.26,-28.27,;33.59,-29.05,;34.92,-28.29,;34.94,-26.75,;36.27,-25.99,;33.6,-25.96,;32.82,-24.63,;34.37,-24.62,;33.57,-30.59,;32.24,-31.35,;32.23,-32.89,;33.56,-33.67,;34.9,-32.91,;34.9,-31.37,;36.25,-30.61,;37.58,-31.38,;37.56,-32.92,;38.91,-30.62,;40.24,-31.4,;41.58,-30.63,;41.59,-29.09,;42.93,-28.33,;40.26,-28.32,;38.92,-29.08,;40.27,-26.78,;38.94,-26,;37.6,-26.76,;38.95,-24.46,;40.29,-23.7,;41.62,-24.47,;41.61,-26.01,;42.93,-26.79,)|
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<3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM3 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50559304
PNG
(CHEMBL4783935)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1csc(n1)-c1c(F)cccc1F |r|
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<3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM3 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50559302
PNG
(CHEMBL4792066)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
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<3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM3 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50559301
PNG
(CHEMBL4758068)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1nc(ncc1N)-c1c(F)cccc1F |r|
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<3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM3 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50559300
PNG
(CHEMBL4796070)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1nc(ccc1N)-c1c(F)cccc1F |r|
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<3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM3 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50559297
PNG
(CHEMBL4763702)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@@]1(O)CF)c1ccncc1NC(=O)c1nc(ccc1N)-c1ncccc1F |r|
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<3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM3 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50559296
PNG
(CHEMBL4781892)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@@]1(O)CF)c1ccncc1NC(=O)c1nc(ncc1N)-c1c(F)cccc1F |r|
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<3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM3 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM106870
PNG
(US8592455, 70)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C24H23F3N4O/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26/h2-8,12-15H,9-11,28H2,1H3,(H,31,32)/t13-,14+,15-/m0/s1
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<3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM2 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM106917
PNG
(US8592455, 117)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.8,wD:3.9,1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.39,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C24H22F3N3O3/c1-12-9-13(10-20(31)23(12)32)14-7-8-28-11-19(14)30-24(33)18-6-5-17(27)22(29-18)21-15(25)3-2-4-16(21)26/h2-8,11-13,20,23,31-32H,9-10H2,1H3,(H,30,33)/t12-,13+,20+,23+/m0/s1
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<3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM2 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50559303
PNG
(CHEMBL4741855)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.9,wD:1.0,5.5,3.10,(30.93,-25.95,;32.26,-26.73,;32.26,-28.27,;33.59,-29.05,;34.92,-28.29,;34.94,-26.75,;36.27,-25.99,;33.6,-25.96,;32.82,-24.63,;34.37,-24.62,;33.57,-30.59,;32.24,-31.35,;32.23,-32.89,;33.56,-33.67,;34.9,-32.91,;34.9,-31.37,;36.25,-30.61,;37.58,-31.38,;37.56,-32.92,;38.91,-30.62,;40.24,-31.4,;41.58,-30.63,;41.59,-29.09,;42.93,-28.33,;40.26,-28.32,;38.92,-29.08,;40.27,-26.78,;38.94,-26,;37.6,-26.76,;38.95,-24.46,;40.29,-23.7,;41.62,-24.47,;41.61,-26.01,;42.93,-26.79,)|
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<3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM2 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50559304
PNG
(CHEMBL4783935)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1csc(n1)-c1c(F)cccc1F |r|
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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM2 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50559302
PNG
(CHEMBL4792066)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
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<3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM2 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50559301
PNG
(CHEMBL4758068)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1nc(ncc1N)-c1c(F)cccc1F |r|
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<3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM2 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50559300
PNG
(CHEMBL4796070)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1nc(ccc1N)-c1c(F)cccc1F |r|
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<3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM2 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50559299
PNG
(CHEMBL4781112)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1nc(ccc1N)-c1ncccc1F |r|
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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM2 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50559296
PNG
(CHEMBL4781892)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@@]1(O)CF)c1ccncc1NC(=O)c1nc(ncc1N)-c1c(F)cccc1F |r|
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<3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM2 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50559297
PNG
(CHEMBL4763702)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@@]1(O)CF)c1ccncc1NC(=O)c1nc(ccc1N)-c1ncccc1F |r|
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<3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM2 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50559299
PNG
(CHEMBL4781112)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1nc(ccc1N)-c1ncccc1F |r|
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM3 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50559305
PNG
(CHEMBL4791128)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1ccnc(n1)-c1c(F)cccc1F |r|
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM3 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM106801
PNG
(US8592455, 1)
Show SMILES C[C@@H]1C[C@H](O)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;2,2.69,;.67,1.93,;2,4.23,;3.33,5,;4.67,4.23,;4.67,2.69,;6,1.93,)|
Show InChI InChI=1S/C24H22F3N3O2/c1-13-9-14(11-15(31)10-13)16-7-8-28-12-21(16)30-24(32)20-6-5-19(27)23(29-20)22-17(25)3-2-4-18(22)26/h2-8,12-15,31H,9-11H2,1H3,(H,30,32)/t13-,14+,15-/m0/s1
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM2 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50559305
PNG
(CHEMBL4791128)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1ccnc(n1)-c1c(F)cccc1F |r|
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5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50559298
PNG
(CHEMBL4742957)
Show SMILES CC[C@@]1(O)[C@@H](C)C[C@H](C[C@H]1O)c1ccncc1NC(=O)c1nc(ccc1N)-c1ncccc1F |r|
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5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM3 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50559298
PNG
(CHEMBL4742957)
Show SMILES CC[C@@]1(O)[C@@H](C)C[C@H](C[C@H]1O)c1ccncc1NC(=O)c1nc(ccc1N)-c1ncccc1F |r|
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11n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM2 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50559305
PNG
(CHEMBL4791128)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1ccnc(n1)-c1c(F)cccc1F |r|
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM2 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50559299
PNG
(CHEMBL4781112)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1nc(ccc1N)-c1ncccc1F |r|
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n/an/a 540n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GSK3beta (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50559301
PNG
(CHEMBL4758068)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1nc(ncc1N)-c1c(F)cccc1F |r|
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n/an/a 9.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP2C9 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50559301
PNG
(CHEMBL4758068)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1nc(ncc1N)-c1c(F)cccc1F |r|
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n/an/a 9.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP2D6 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50559301
PNG
(CHEMBL4758068)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1nc(ncc1N)-c1c(F)cccc1F |r|
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n/an/a 2.60E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP3A4 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM106917
PNG
(US8592455, 117)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.8,wD:3.9,1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.39,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C24H22F3N3O3/c1-12-9-13(10-20(31)23(12)32)14-7-8-28-11-19(14)30-24(33)18-6-5-17(27)22(29-18)21-15(25)3-2-4-16(21)26/h2-8,11-13,20,23,31-32H,9-10H2,1H3,(H,30,33)/t12-,13+,20+,23+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50559301
PNG
(CHEMBL4758068)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1nc(ncc1N)-c1c(F)cccc1F |r|
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP1A2 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50559296
PNG
(CHEMBL4781892)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@@]1(O)CF)c1ccncc1NC(=O)c1nc(ncc1N)-c1c(F)cccc1F |r|
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP1A2 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50559299
PNG
(CHEMBL4781112)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1nc(ccc1N)-c1ncccc1F |r|
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
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