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Compile Data Set for Download or QSAR

Found 10529 hits with Last Name = 'rico' and Initial = 'a'   
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))
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))
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))
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))
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))
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-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
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50046213
PNG
(2-Amino-7-(3-hydroxy-benzyl)-3,5-dihydro-pyrrolo[3...)
Show SMILES Nc1nc2c(Cc3cccc(O)c3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H12N4O2/c14-13-16-10-8(6-15-11(10)12(19)17-13)4-7-2-1-3-9(18)5-7/h1-3,5-6,15,18H,4H2,(H3,14,16,17,19)
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1.70n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using 2-amino-6-mercapto-7-methyl purine ribonucleoside (MESG) as subst...


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50118337
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(3,4-dihydro-2H-ben...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCCOc12)c1csc2ccccc12
Show InChI InChI=1S/C24H28N2O3S/c27-21(19-17-30-23-8-2-1-5-18(19)23)9-10-25-11-13-26(14-12-25)20-6-3-7-22-24(20)29-16-4-15-28-22/h1-3,5-8,17,21,27H,4,9-16H2
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1.91n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50415830
PNG
(CHEMBL1095256)
Show SMILES Cc1ccc2cccc(N3CCN(CCC(O)c4csc5ccc(F)cc45)CC3)c2n1
Show InChI InChI=1S/C25H26FN3OS/c1-17-5-6-18-3-2-4-22(25(18)27-17)29-13-11-28(12-14-29)10-9-23(30)21-16-31-24-8-7-19(26)15-20(21)24/h2-8,15-16,23,30H,9-14H2,1H3
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2.51n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50118336
PNG
(1-(5-Fluoro-benzo[b]thiophen-3-yl)-3-(4-quinolin-8...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2cccnc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C24H24FN3OS/c25-18-6-7-23-19(15-18)20(16-30-23)22(29)8-10-27-11-13-28(14-12-27)21-5-1-3-17-4-2-9-26-24(17)21/h1-7,9,15-16,22,29H,8,10-14H2
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2.69n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
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-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))
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-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-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-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))
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))
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))
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))
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))
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-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-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-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))
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))
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))
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))
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))
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))
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50118327
PNG
(3-(4-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)pi...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCCOc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C24H27FN2O3S/c25-17-5-6-23-18(15-17)19(16-31-23)21(28)7-8-26-9-11-27(12-10-26)20-3-1-4-22-24(20)30-14-2-13-29-22/h1,3-6,15-16,21,28H,2,7-14H2
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3.02n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50039542
PNG
(2-Amino-7-pyridin-3-ylmethyl-3,5-dihydro-pyrrolo[3...)
Show SMILES Nc1nc2c(Cc3cccnc3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C12H11N5O/c13-12-16-9-8(4-7-2-1-3-14-5-7)6-15-10(9)11(18)17-12/h1-3,5-6,15H,4H2,(H3,13,16,17,18)
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3.10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using 2-amino-6-mercapto-7-methyl purine ribonucleoside (MESG) as subst...


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50048046
PNG
(2-Amino-7-(3-methyl-cyclohexylmethyl)-3,5-dihydro-...)
Show SMILES CC1CCCC(Cc2c[nH]c3c2nc(N)[nH]c3=O)C1
Show InChI InChI=1S/C14H20N4O/c1-8-3-2-4-9(5-8)6-10-7-16-12-11(10)17-14(15)18-13(12)19/h7-9,16H,2-6H2,1H3,(H3,15,17,18,19)
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3.30n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using 2-amino-6-mercapto-7-methyl purine ribonucleoside (MESG) as subst...


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50039544
PNG
(2-Amino-7-thiophen-3-ylmethyl-3,5-dihydro-pyrrolo[...)
Show SMILES Nc1nc2c(Cc3ccsc3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H10N4OS/c12-11-14-8-7(3-6-1-2-17-5-6)4-13-9(8)10(16)15-11/h1-2,4-5,13H,3H2,(H3,12,14,15,16)
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3.5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using 2-amino-6-mercapto-7-methyl purine ribonucleoside (MESG) as subst...


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50039547
PNG
(2-Amino-7-benzyl-3,5-dihydro-pyrrolo[3,2-d]pyrimid...)
Show SMILES Nc1nc2c(Cc3ccccc3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H12N4O/c14-13-16-10-9(6-8-4-2-1-3-5-8)7-15-11(10)12(18)17-13/h1-5,7,15H,6H2,(H3,14,16,17,18)
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3.60n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using 2-amino-6-mercapto-7-methyl purine ribonucleoside (MESG) as subst...


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50046219
PNG
(2-Amino-7-(4-chloro-benzyl)-3,5-dihydro-pyrrolo[3,...)
Show SMILES Nc1nc2c(Cc3ccc(Cl)cc3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H11ClN4O/c14-9-3-1-7(2-4-9)5-8-6-16-11-10(8)17-13(15)18-12(11)19/h1-4,6,16H,5H2,(H3,15,17,18,19)
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3.90n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against calf spleen Purine nucleoside phosphorylase (PNP) using 2-amino-6-mercapto-7-methyl purine ribonucleoside...


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50048053
PNG
(2-Amino-7-(3-trifluoromethyl-cyclohexylmethyl)-3,5...)
Show SMILES Nc1nc2c(CC3CCCC(C3)C(F)(F)F)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C14H17F3N4O/c15-14(16,17)9-3-1-2-7(5-9)4-8-6-19-11-10(8)20-13(18)21-12(11)22/h6-7,9,19H,1-5H2,(H3,18,20,21,22)
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3.90n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using 2-amino-6-mercapto-7-methyl purine ribonucleoside (MESG) as subst...


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50078452
PNG
((S)-3-(2-Amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]...)
Show SMILES Nc1nc2c(c[nH]c2c(=O)[nH]1)[C@@H](CC(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H13ClN4O3/c16-8-3-1-2-7(4-8)9(5-11(21)22)10-6-18-13-12(10)19-15(17)20-14(13)23/h1-4,6,9,18H,5H2,(H,21,22)(H3,17,19,20,23)/t9-/m0/s1
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4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
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-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
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
BDBM50228843
PNG
(CHEMBL436718)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)CCNCCNS(=O)(=O)c1cccc2cnccc12)C(O)=O
Show InChI InChI=1S/C53H94N28O12S/c54-48(55)68-18-2-9-32(41(84)77-34(11-4-20-70-50(58)59)43(86)79-36(13-6-22-72-52(62)63)45(88)81-37(47(90)91)14-7-23-73-53(64)65)76-42(85)33(10-3-19-69-49(56)57)78-44(87)35(12-5-21-71-51(60)61)80-46(89)38(29-82)75-40(83)17-25-66-26-27-74-94(92,93)39-15-1-8-30-28-67-24-16-31(30)39/h1,8,15-16,24,28,32-38,66,74,82H,2-7,9-14,17-23,25-27,29H2,(H,75,83)(H,76,85)(H,77,84)(H,78,87)(H,79,86)(H,80,89)(H,81,88)(H,90,91)(H4,54,55,68)(H4,56,57,69)(H4,58,59,70)(H4,60,61,71)(H4,62,63,72)(H4,64,65,73)/t32-,33-,34-,35-,36-,37-,38-/m0/s1
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4n/an/an/an/an/an/an/an/a



URA CNRS 1309

Curated by ChEMBL


Assay Description
Displacement of ATP from protein kinase A (PKA)


J Med Chem 34: 73-8 (1991)


BindingDB Entry DOI: 10.7270/Q2J38VS9
More data for this
Ligand-Target Pair
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