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Compile Data Set for Download or QSAR

Found 402 hits with Last Name = 'guan' and Initial = 'r'   
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
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli)
BDBM22113
PNG
((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O |r|
Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
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0.00200n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of recombinant Escherichia coli MTAN expressed in Escherichia coli BL-21 DE3 using methylthioadenosine as substrate assessed as inhibition...


Bioorg Med Chem 23: 5326-33 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1FF5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli)
BDBM22113
PNG
((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O |r|
Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
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0.0480n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of recombinant Escherichia coli MTAN expressed in Escherichia coli BL-21 DE3 using methylthioadenosine as substrate by xanthine oxidase co...


Bioorg Med Chem 23: 5326-33 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1FF5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50247151
PNG
(7-(((3R,4S)-3-hydroxy-4-(methylthiomethyl)pyrrolid...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r|
Show InChI InChI=1S/C13H18N4O2S/c1-20-6-9-4-17(5-10(9)18)3-8-2-14-12-11(8)15-7-16-13(12)19/h2,7,9-10,14,18H,3-6H2,1H3,(H,15,16,19)/t9-,10+/m1/s1
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0.0700n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PNP using inosine as substrate assessed as inhibition constant for slow onset inhibition of enzyme-inhibitor complex ...


Bioorg Med Chem 23: 5326-33 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1FF5
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM22113
PNG
((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O |r|
Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
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0.0780n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of human MTAP using methylthioadenosine as substrate assessed as inhibition constant for slow onset inhibition of enzyme-inhibitor complex...


Bioorg Med Chem 23: 5326-33 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1FF5
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM15131
PNG
(5-indazolyl pyridine 3 | 5-{5-[(2S)-2-amino-3-(1H-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
Show InChI InChI=1S/C24H23N5O/c1-15-22-10-16(6-7-24(22)29-28-15)17-9-20(13-26-11-17)30-14-19(25)8-18-12-27-23-5-3-2-4-21(18)23/h2-7,9-13,19,27H,8,14,25H2,1H3,(H,28,29)/t19-/m0/s1
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0.160 -55.3n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3740-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.046
BindingDB Entry DOI: 10.7270/Q2ZP44C9
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50247151
PNG
(7-(((3R,4S)-3-hydroxy-4-(methylthiomethyl)pyrrolid...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r|
Show InChI InChI=1S/C13H18N4O2S/c1-20-6-9-4-17(5-10(9)18)3-8-2-14-12-11(8)15-7-16-13(12)19/h2,7,9-10,14,18H,3-6H2,1H3,(H,15,16,19)/t9-,10+/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PNP using inosine as substrate by xanthine oxidase coupling enzyme assay


Bioorg Med Chem 23: 5326-33 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1FF5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM35048
PNG
(benzothienopyrimidinone deriv., 20c)
Show SMILES O[C@H]1CCN(Cc2nc3c4cc(ccc4sc3c(=O)[nH]2)-c2ccc(O)cc2)C1 |r|
Show InChI InChI=1S/C21H19N3O3S/c25-14-4-1-12(2-5-14)13-3-6-17-16(9-13)19-20(28-17)21(27)23-18(22-19)11-24-8-7-15(26)10-24/h1-6,9,15,25-26H,7-8,10-11H2,(H,22,23,27)/t15-/m0/s1
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0.400 -53.6n/an/an/an/an/an/a25



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM22113
PNG
((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O |r|
Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
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0.530n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of human MTAP using methylthioadenosine as substrate by xanthine oxidase coupling enzyme assay


Bioorg Med Chem 23: 5326-33 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1FF5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35042
PNG
(benzothienopyrimidinone deriv., 18b)
Show SMILES CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccc(OCCCN)cc1
Show InChI InChI=1S/C22H24N4O2S/c1-26(2)13-19-24-20-17-12-15(6-9-18(17)29-21(20)22(27)25-19)14-4-7-16(8-5-14)28-11-3-10-23/h4-9,12H,3,10-11,13,23H2,1-2H3,(H,24,25,27)
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0.600 -52.6n/an/an/an/an/an/a25



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35048
PNG
(benzothienopyrimidinone deriv., 20c)
Show SMILES O[C@H]1CCN(Cc2nc3c4cc(ccc4sc3c(=O)[nH]2)-c2ccc(O)cc2)C1 |r|
Show InChI InChI=1S/C21H19N3O3S/c25-14-4-1-12(2-5-14)13-3-6-17-16(9-13)19-20(28-17)21(27)23-18(22-19)11-24-8-7-15(26)10-24/h1-6,9,15,25-26H,7-8,10-11H2,(H,22,23,27)/t15-/m0/s1
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0.700 -52.3n/an/an/an/an/an/a25



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35050
PNG
(benzothienopyrimidinone deriv., 20e)
Show SMILES O[C@H]1CCN(Cc2nc3c4cc(\C=C\C5CC5)ccc4sc3c(=O)[nH]2)C1 |r|
Show InChI InChI=1S/C20H21N3O2S/c24-14-7-8-23(10-14)11-17-21-18-15-9-13(4-3-12-1-2-12)5-6-16(15)26-19(18)20(25)22-17/h3-6,9,12,14,24H,1-2,7-8,10-11H2,(H,21,22,25)/b4-3+/t14-/m0/s1
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0.800 -51.9n/an/an/an/an/an/a25



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35043
PNG
(benzothienopyrimidinone deriv., 19a)
Show SMILES Oc1cccc(NCc2nc3c4cc(Br)ccc4sc3c(=O)[nH]2)c1
Show InChI InChI=1S/C17H12BrN3O2S/c18-9-4-5-13-12(6-9)15-16(24-13)17(23)21-14(20-15)8-19-10-2-1-3-11(22)7-10/h1-7,19,22H,8H2,(H,20,21,23)
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0.800 -51.9n/an/an/an/an/an/a25



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM34997
PNG
(benzothienopyrimidinone deriv., 6n)
Show SMILES Oc1cccc(NCc2nc3c4cc(Cl)ccc4sc3c(=O)[nH]2)c1
Show InChI InChI=1S/C17H12ClN3O2S/c18-9-4-5-13-12(6-9)15-16(24-13)17(23)21-14(20-15)8-19-10-2-1-3-11(22)7-10/h1-7,19,22H,8H2,(H,20,21,23)
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0.900 -51.3n/an/an/an/an/a7.523



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50247151
PNG
(7-(((3R,4S)-3-hydroxy-4-(methylthiomethyl)pyrrolid...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r|
Show InChI InChI=1S/C13H18N4O2S/c1-20-6-9-4-17(5-10(9)18)3-8-2-14-12-11(8)15-7-16-13(12)19/h2,7,9-10,14,18H,3-6H2,1H3,(H,15,16,19)/t9-,10+/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum PNP using inosine as substrate assessed as inhibition constant for slow onset inhibition of enzyme-in...


Bioorg Med Chem 23: 5326-33 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1FF5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM35050
PNG
(benzothienopyrimidinone deriv., 20e)
Show SMILES O[C@H]1CCN(Cc2nc3c4cc(\C=C\C5CC5)ccc4sc3c(=O)[nH]2)C1 |r|
Show InChI InChI=1S/C20H21N3O2S/c24-14-7-8-23(10-14)11-17-21-18-15-9-13(4-3-12-1-2-12)5-6-16(15)26-19(18)20(25)22-17/h3-6,9,12,14,24H,1-2,7-8,10-11H2,(H,21,22,25)/b4-3+/t14-/m0/s1
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0.900 -51.6n/an/an/an/an/an/a25



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35012
PNG
(benzothienopyrimidinone deriv., 12b)
Show SMILES CN(C)Cc1nc2c3cc(\C=C\C4CC4)ccc3sc2c(=O)[nH]1
Show InChI InChI=1S/C18H19N3OS/c1-21(2)10-15-19-16-13-9-12(6-5-11-3-4-11)7-8-14(13)23-17(16)18(22)20-15/h5-9,11H,3-4,10H2,1-2H3,(H,19,20,22)/b6-5+
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1 -51.0n/an/an/an/an/a7.523



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35041
PNG
(benzothienopyrimidinone deriv., 18a)
Show SMILES CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccc(OCC(O)CO)cc1
Show InChI InChI=1S/C22H23N3O4S/c1-25(2)10-19-23-20-17-9-14(5-8-18(17)30-21(20)22(28)24-19)13-3-6-16(7-4-13)29-12-15(27)11-26/h3-9,15,26-27H,10-12H2,1-2H3,(H,23,24,28)
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1 -51.4n/an/an/an/an/an/a25



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35028
PNG
(benzothienopyrimidinone deriv., 14m)
Show SMILES CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C19H16FN3O2S/c1-23(2)9-16-21-17-12-7-10(11-3-5-14(24)13(20)8-11)4-6-15(12)26-18(17)19(25)22-16/h3-8,24H,9H2,1-2H3,(H,21,22,25)
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1 -51.4n/an/an/an/an/an/a25



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35021
PNG
(benzothienopyrimidinone deriv., 14f)
Show SMILES CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1cccc(O)c1
Show InChI InChI=1S/C19H17N3O2S/c1-22(2)10-16-20-17-14-9-12(11-4-3-5-13(23)8-11)6-7-15(14)25-18(17)19(24)21-16/h3-9,23H,10H2,1-2H3,(H,20,21,24)
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1 -51.4n/an/an/an/an/an/a25



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM15136
PNG
(5-indazolyl pyridine 11e | 5-{5-[(2S)-2-amino-3-(2...)
Show SMILES COc1ccc2ccccc2c1C[C@H](N)COc1cncc(c1)-c1ccc2[nH]nc(C)c2c1 |r|
Show InChI InChI=1S/C27H26N4O2/c1-17-24-12-19(7-9-26(24)31-30-17)20-11-22(15-29-14-20)33-16-21(28)13-25-23-6-4-3-5-18(23)8-10-27(25)32-2/h3-12,14-15,21H,13,16,28H2,1-2H3,(H,30,31)/t21-/m0/s1
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1.10 -50.6n/an/an/an/an/a7.522



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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3740-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.046
BindingDB Entry DOI: 10.7270/Q2ZP44C9
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM15067
PNG
((2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C25H22N4O/c26-22(10-21-14-29-25-4-2-1-3-24(21)25)16-30-23-11-20(13-28-15-23)17-5-6-19-12-27-8-7-18(19)9-17/h1-9,11-15,22,29H,10,16,26H2/t22-/m0/s1
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2 -49.2n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3740-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.046
BindingDB Entry DOI: 10.7270/Q2ZP44C9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM35012
PNG
(benzothienopyrimidinone deriv., 12b)
Show SMILES CN(C)Cc1nc2c3cc(\C=C\C4CC4)ccc3sc2c(=O)[nH]1
Show InChI InChI=1S/C18H19N3OS/c1-21(2)10-15-19-16-13-9-12(6-5-11-3-4-11)7-8-14(13)23-17(16)18(22)20-15/h5-9,11H,3-4,10H2,1-2H3,(H,19,20,22)/b6-5+
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2 -49.7n/an/an/an/an/an/a25



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Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35037
PNG
(benzothienopyrimidinone deriv., 16a)
Show SMILES CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1cccnc1
Show InChI InChI=1S/C18H16N4OS/c1-22(2)10-15-20-16-13-8-11(12-4-3-7-19-9-12)5-6-14(13)24-17(16)18(23)21-15/h3-9H,10H2,1-2H3,(H,20,21,23)
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2 -49.7n/an/an/an/an/an/a25



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Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM35026
PNG
(benzothienopyrimidinone deriv., 14k)
Show SMILES CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccc(N)cc1
Show InChI InChI=1S/C19H18N4OS/c1-23(2)10-16-21-17-14-9-12(11-3-6-13(20)7-4-11)5-8-15(14)25-18(17)19(24)22-16/h3-9H,10,20H2,1-2H3,(H,21,22,24)
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Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM35033
PNG
(benzothienopyrimidinone deriv., 15a)
Show SMILES CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccsc1
Show InChI InChI=1S/C17H15N3OS2/c1-20(2)8-14-18-15-12-7-10(11-5-6-22-9-11)3-4-13(12)23-16(15)17(21)19-14/h3-7,9H,8H2,1-2H3,(H,18,19,21)
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Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM35048
PNG
(benzothienopyrimidinone deriv., 20c)
Show SMILES O[C@H]1CCN(Cc2nc3c4cc(ccc4sc3c(=O)[nH]2)-c2ccc(O)cc2)C1 |r|
Show InChI InChI=1S/C21H19N3O3S/c25-14-4-1-12(2-5-14)13-3-6-17-16(9-13)19-20(28-17)21(27)23-18(22-19)11-24-8-7-15(26)10-24/h1-6,9,15,25-26H,7-8,10-11H2,(H,22,23,27)/t15-/m0/s1
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Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35025
PNG
(benzothienopyrimidinone deriv., 14j)
Show SMILES CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccc(O)cc1
Show InChI InChI=1S/C19H17N3O2S/c1-22(2)10-16-20-17-14-9-12(11-3-6-13(23)7-4-11)5-8-15(14)25-18(17)19(24)21-16/h3-9,23H,10H2,1-2H3,(H,20,21,24)
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Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35026
PNG
(benzothienopyrimidinone deriv., 14k)
Show SMILES CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccc(N)cc1
Show InChI InChI=1S/C19H18N4OS/c1-23(2)10-16-21-17-14-9-12(11-3-6-13(20)7-4-11)5-8-15(14)25-18(17)19(24)22-16/h3-9H,10,20H2,1-2H3,(H,21,22,24)
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Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM35041
PNG
(benzothienopyrimidinone deriv., 18a)
Show SMILES CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccc(OCC(O)CO)cc1
Show InChI InChI=1S/C22H23N3O4S/c1-25(2)10-19-23-20-17-9-14(5-8-18(17)30-21(20)22(28)24-19)13-3-6-16(7-4-13)29-12-15(27)11-26/h3-9,15,26-27H,10-12H2,1-2H3,(H,23,24,28)
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Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35044
PNG
(benzothienopyrimidinone deriv., 19b)
Show SMILES Oc1cccc(NCc2nc3c4cc(ccc4sc3c(=O)[nH]2)-c2ccsc2)c1
Show InChI InChI=1S/C21H15N3O2S2/c25-15-3-1-2-14(9-15)22-10-18-23-19-16-8-12(13-6-7-27-11-13)4-5-17(16)28-20(19)21(26)24-18/h1-9,11,22,25H,10H2,(H,23,24,26)
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Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35045
PNG
(benzothienopyrimidinone deriv., 19c)
Show SMILES Oc1cccc(NCc2nc3c4cc(ccc4sc3c(=O)[nH]2)-c2ccccc2)c1
Show InChI InChI=1S/C23H17N3O2S/c27-17-8-4-7-16(12-17)24-13-20-25-21-18-11-15(14-5-2-1-3-6-14)9-10-19(18)29-22(21)23(28)26-20/h1-12,24,27H,13H2,(H,25,26,28)
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2 -49.7n/an/an/an/an/an/a25



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM15132
PNG
(5-indazolyl pyridine 11a | 5-{5-[(2S)-2-amino-3-(2...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c(C)[nH]c3ccccc23)c1 |r|
Show InChI InChI=1S/C25H25N5O/c1-15-22(21-5-3-4-6-24(21)28-15)11-19(26)14-31-20-9-18(12-27-13-20)17-7-8-25-23(10-17)16(2)29-30-25/h3-10,12-13,19,28H,11,14,26H2,1-2H3,(H,29,30)/t19-/m0/s1
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2.10 -49.0n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3740-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.046
BindingDB Entry DOI: 10.7270/Q2ZP44C9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM35037
PNG
(benzothienopyrimidinone deriv., 16a)
Show SMILES CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1cccnc1
Show InChI InChI=1S/C18H16N4OS/c1-22(2)10-15-20-16-13-8-11(12-4-3-7-19-9-12)5-6-14(13)24-17(16)18(23)21-15/h3-9H,10H2,1-2H3,(H,20,21,23)
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Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35047
PNG
(benzothienopyrimidinone deriv., 20b)
Show SMILES O[C@H]1CCN(Cc2nc3c4cc(ccc4sc3c(=O)[nH]2)-c2ccccc2)C1 |r|
Show InChI InChI=1S/C21H19N3O2S/c25-15-8-9-24(11-15)12-18-22-19-16-10-14(13-4-2-1-3-5-13)6-7-17(16)27-20(19)21(26)23-18/h1-7,10,15,25H,8-9,11-12H2,(H,22,23,26)/t15-/m0/s1
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Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM35025
PNG
(benzothienopyrimidinone deriv., 14j)
Show SMILES CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccc(O)cc1
Show InChI InChI=1S/C19H17N3O2S/c1-22(2)10-16-20-17-14-9-12(11-3-6-13(23)7-4-11)5-8-15(14)25-18(17)19(24)21-16/h3-9,23H,10H2,1-2H3,(H,20,21,24)
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Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM35034
PNG
(benzothienopyrimidinone deriv., 15b)
Show SMILES CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccc[nH]1
Show InChI InChI=1S/C17H16N4OS/c1-21(2)9-14-19-15-11-8-10(12-4-3-7-18-12)5-6-13(11)23-16(15)17(22)20-14/h3-8,18H,9H2,1-2H3,(H,19,20,22)
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Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM35046
PNG
(benzothienopyrimidinone deriv., 20a)
Show SMILES O[C@H]1CCN(Cc2nc3c4cc(ccc4sc3c(=O)[nH]2)-c2ccsc2)C1 |r|
Show InChI InChI=1S/C19H17N3O2S2/c23-13-3-5-22(8-13)9-16-20-17-14-7-11(12-4-6-25-10-12)1-2-15(14)26-18(17)19(24)21-16/h1-2,4,6-7,10,13,23H,3,5,8-9H2,(H,20,21,24)/t13-/m0/s1
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Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35015
PNG
(benzothienopyrimidinone deriv., 13c)
Show SMILES CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)C#CCCCCN1CCCCC1
Show InChI InChI=1S/C24H30N4OS/c1-27(2)17-21-25-22-19-16-18(11-12-20(19)30-23(22)24(29)26-21)10-6-3-4-7-13-28-14-8-5-9-15-28/h11-12,16H,3-5,7-9,13-15,17H2,1-2H3,(H,25,26,29)
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Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35019
PNG
(benzothienopyrimidinone deriv., 14d)
Show SMILES CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H16ClN3OS/c1-23(2)10-16-21-17-14-9-12(11-4-3-5-13(20)8-11)6-7-15(14)25-18(17)19(24)22-16/h3-9H,10H2,1-2H3,(H,21,22,24)
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Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35031
PNG
(benzothienopyrimidinone deriv., 14p)
Show SMILES CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1cc(F)cc(Cl)c1
Show InChI InChI=1S/C19H15ClFN3OS/c1-24(2)9-16-22-17-14-7-10(11-5-12(20)8-13(21)6-11)3-4-15(14)26-18(17)19(25)23-16/h3-8H,9H2,1-2H3,(H,22,23,25)
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3 -48.6n/an/an/an/an/an/a25



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM15134
PNG
(5-indazolyl pyridine 11c | 5-{5-[(2S)-2-amino-3-(n...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc3ccccc3c2)c1 |r|
Show InChI InChI=1S/C26H24N4O/c1-17-25-13-21(8-9-26(25)30-29-17)22-12-24(15-28-14-22)31-16-23(27)11-18-6-7-19-4-2-3-5-20(19)10-18/h2-10,12-15,23H,11,16,27H2,1H3,(H,29,30)/t23-/m0/s1
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3.20 -48.0n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3740-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.046
BindingDB Entry DOI: 10.7270/Q2ZP44C9
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM15125
PNG
(5-isoquinolinyl pyridine 10d | 6-{5-[(2S)-2-amino-...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C27H23N3O/c28-26(12-19-5-6-20-3-1-2-4-21(20)11-19)18-31-27-14-25(16-30-17-27)22-7-8-24-15-29-10-9-23(24)13-22/h1-11,13-17,26H,12,18,28H2/t26-/m0/s1
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3.5 -47.8n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3740-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.046
BindingDB Entry DOI: 10.7270/Q2ZP44C9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35039
PNG
(benzothienopyrimidinone deriv., 17a)
Show SMILES CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)N1CCCC1
Show InChI InChI=1S/C17H20N4OS/c1-20(2)10-14-18-15-12-9-11(21-7-3-4-8-21)5-6-13(12)23-16(15)17(22)19-14/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,19,22)
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4 -47.9n/an/an/an/an/an/a25



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM35021
PNG
(benzothienopyrimidinone deriv., 14f)
Show SMILES CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1cccc(O)c1
Show InChI InChI=1S/C19H17N3O2S/c1-22(2)10-16-20-17-14-9-12(11-4-3-5-13(23)8-11)6-7-15(14)25-18(17)19(24)21-16/h3-9,23H,10H2,1-2H3,(H,20,21,24)
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4 -47.9n/an/an/an/an/an/a25



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35016
PNG
(benzothienopyrimidinone deriv., 14a)
Show SMILES CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C19H17N3OS/c1-22(2)11-16-20-17-14-10-13(12-6-4-3-5-7-12)8-9-15(14)24-18(17)19(23)21-16/h3-10H,11H2,1-2H3,(H,20,21,23)
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4 -47.9n/an/an/an/an/an/a25



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35049
PNG
(benzothienopyrimidinone deriv., 20d)
Show SMILES O[C@H]1CCN(Cc2nc3c4cc(ccc4sc3c(=O)[nH]2)-c2ccc(cc2)C#N)C1 |r|
Show InChI InChI=1S/C22H18N4O2S/c23-10-13-1-3-14(4-2-13)15-5-6-18-17(9-15)20-21(29-18)22(28)25-19(24-20)12-26-8-7-16(27)11-26/h1-6,9,16,27H,7-8,11-12H2,(H,24,25,28)/t16-/m0/s1
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4 -47.9n/an/an/an/an/an/a25



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35032
PNG
(benzothienopyrimidinone deriv., 14q)
Show SMILES CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H15Cl2N3OS/c1-24(2)9-16-22-17-14-7-10(11-5-12(20)8-13(21)6-11)3-4-15(14)26-18(17)19(25)23-16/h3-8H,9H2,1-2H3,(H,22,23,25)
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4 -47.9n/an/an/an/an/an/a25



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35033
PNG
(benzothienopyrimidinone deriv., 15a)
Show SMILES CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccsc1
Show InChI InChI=1S/C17H15N3OS2/c1-20(2)8-14-18-15-12-7-10(11-5-6-22-9-11)3-4-13(12)23-16(15)17(21)19-14/h3-7,9H,8H2,1-2H3,(H,18,19,21)
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4 -47.9n/an/an/an/an/an/a25



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35029
PNG
(benzothienopyrimidinone deriv., 14n)
Show SMILES CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C21H22N4OS/c1-24(2)12-18-22-19-16-11-14(13-5-8-15(9-6-13)25(3)4)7-10-17(16)27-20(19)21(26)23-18/h5-11H,12H2,1-4H3,(H,22,23,26)
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4 -47.9n/an/an/an/an/an/a25



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli)
BDBM50116357
PNG
(CHEMBL3604360)
Show SMILES CSC[C@@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@H]1O |r|
Show InChI InChI=1/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/s2
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4.5n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of recombinant Escherichia coli MTAN expressed in Escherichia coli BL-21 DE3 using methylthioadenosine as substrate by xanthine oxidase co...


Bioorg Med Chem 23: 5326-33 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1FF5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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