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Compile Data Set for Download or QSAR

Found 232 hits with Last Name = 'stefan' and Initial = 'e'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
HTR7


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



Syntex Discovery Research

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
HTR7


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



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Citation and Details
More data for this
Ligand-Target Pair
HTR7


(GUINEA PIG)
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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10n/an/an/an/an/an/an/an/a



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Citation and Details
More data for this
Ligand-Target Pair
HTR7


(GUINEA PIG)
BDBM50024206
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-5-ol | 3-[2-(d...)
Show SMILES CN(C)CCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3
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19.9n/an/an/an/an/an/an/an/a



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Citation and Details
More data for this
Ligand-Target Pair
HTR7


(GUINEA PIG)
BDBM50031942
PNG
((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)
Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34
Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
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39.8n/an/an/an/an/an/an/an/a



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Citation and Details
More data for this
Ligand-Target Pair
HTR7


(GUINEA PIG)
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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50.1n/an/an/an/an/an/an/an/a



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Citation and Details
More data for this
Ligand-Target Pair
HTR7


(GUINEA PIG)
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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100n/an/an/an/an/an/an/an/a



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Citation and Details
More data for this
Ligand-Target Pair
HTR7


(GUINEA PIG)
BDBM50005835
PNG
((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...)
Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
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251n/an/an/an/an/an/an/an/a



Syntex Discovery Research

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Citation and Details
More data for this
Ligand-Target Pair
HTR7


(GUINEA PIG)
BDBM50014406
PNG
(2-Me 5-HT | 2-Methyl-5-hydroxytryptamine | 2-methy...)
Show SMILES Cc1[nH]c2ccc(O)cc2c1CCN
Show InChI InChI=1S/C11H14N2O/c1-7-9(4-5-12)10-6-8(14)2-3-11(10)13-7/h2-3,6,13-14H,4-5,12H2,1H3
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1.26E+3n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM50357599
PNG
(CHEMBL1915633)
Show SMILES COc1cccc(Nc2nc3c(cccc3c3cnccc23)-c2nnc[nH]2)c1Cl
Show InChI InChI=1S/C21H15ClN6O/c1-29-17-7-3-6-16(18(17)22)26-21-13-8-9-23-10-15(13)12-4-2-5-14(19(12)27-21)20-24-11-25-28-20/h2-11H,1H3,(H,26,27)(H,24,25,28)
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n/an/a 1n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 5 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM50357602
PNG
(CHEMBL1915636)
Show SMILES Fc1cccc(F)c1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1
Show InChI InChI=1S/C20H12F2N6/c21-15-5-2-6-16(22)18(15)27-20-12-7-8-23-9-14(12)11-3-1-4-13(17(11)26-20)19-24-10-25-28-19/h1-10H,(H,26,27)(H,24,25,28)
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n/an/a 1n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 5 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM50357610
PNG
(CHEMBL1915644)
Show SMILES CNC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccncc21
Show InChI InChI=1S/C20H15ClN4O/c1-22-20(26)14-6-4-5-12-15-11-23-10-9-13(15)19(25-18(12)14)24-17-8-3-2-7-16(17)21/h2-11H,1H3,(H,22,26)(H,24,25)
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n/an/a 1n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 5 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50357587
PNG
(CHEMBL1915438)
Show SMILES Clc1ccccc1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1
Show InChI InChI=1S/C20H13ClN6/c21-16-6-1-2-7-17(16)25-20-13-8-9-22-10-15(13)12-4-3-5-14(18(12)26-20)19-23-11-24-27-19/h1-11H,(H,25,26)(H,23,24,27)
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n/an/a 1n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PIM1 using KKRNRTLTV as substrate by millipore assay in the presence of 90 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM50357594
PNG
(CHEMBL1915445)
Show SMILES Oc1ccc(Nc2nc3c(cccc3c3cnccc23)-c2nnc[nH]2)c(Cl)c1
Show InChI InChI=1S/C20H13ClN6O/c21-16-8-11(28)4-5-17(16)25-20-13-6-7-22-9-15(13)12-2-1-3-14(18(12)26-20)19-23-10-24-27-19/h1-10,28H,(H,25,26)(H,23,24,27)
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n/an/a 1n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PIM2 by millipore assay in the presence of 15 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Casein Kinase II


(Homo sapiens (human))
BDBM50335638
PNG
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
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n/an/a 1n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha by radiometric assay


J Med Chem 54: 635-54 (2011)

More data for this
Ligand-Target Pair
Casein Kinase II


(Homo sapiens (human))
BDBM50335638
PNG
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
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n/an/a 1n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha at enzyme-substrate complex by radiometric assay


J Med Chem 54: 635-54 (2011)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM30026
PNG
(triazolopyridazine, 18)
Show SMILES COc1ccc(OC)c(c1)-c1nnc2ccc(nn12)-c1ccc(OC)c(O[C@@H]2CCOC2)c1
Show InChI InChI=1S/C24H24N4O5/c1-29-16-5-8-20(30-2)18(13-16)24-26-25-23-9-6-19(27-28(23)24)15-4-7-21(31-3)22(12-15)33-17-10-11-32-14-17/h4-9,12-13,17H,10-11,14H2,1-3H3/t17-/m1/s1
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n/an/a 1.5n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM50357594
PNG
(CHEMBL1915445)
Show SMILES Oc1ccc(Nc2nc3c(cccc3c3cnccc23)-c2nnc[nH]2)c(Cl)c1
Show InChI InChI=1S/C20H13ClN6O/c21-16-8-11(28)4-5-17(16)25-20-13-6-7-22-9-15(13)12-2-1-3-14(18(12)26-20)19-23-10-24-27-19/h1-10,28H,(H,25,26)(H,23,24,27)
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n/an/a 2n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 5 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM50357612
PNG
(CHEMBL1915646)
Show SMILES CCNC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccncc21
Show InChI InChI=1S/C21H17ClN4O/c1-2-24-21(27)15-7-5-6-13-16-12-23-11-10-14(16)20(26-19(13)15)25-18-9-4-3-8-17(18)22/h3-12H,2H2,1H3,(H,24,27)(H,25,26)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 5 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM50357613
PNG
(CHEMBL1915647)
Show SMILES CC(C)NC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccncc21
Show InChI InChI=1S/C22H19ClN4O/c1-13(2)25-22(28)16-7-5-6-14-17-12-24-11-10-15(17)21(27-20(14)16)26-19-9-4-3-8-18(19)23/h3-13H,1-2H3,(H,25,28)(H,26,27)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 5 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM50357618
PNG
(CHEMBL1914471)
Show SMILES CNC(=O)c1cccc2c1nc(Nc1c(F)cccc1F)c1ccncc21
Show InChI InChI=1S/C20H14F2N4O/c1-23-20(27)13-5-2-4-11-14-10-24-9-8-12(14)19(25-17(11)13)26-18-15(21)6-3-7-16(18)22/h2-10H,1H3,(H,23,27)(H,25,26)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 5 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50357594
PNG
(CHEMBL1915445)
Show SMILES Oc1ccc(Nc2nc3c(cccc3c3cnccc23)-c2nnc[nH]2)c(Cl)c1
Show InChI InChI=1S/C20H13ClN6O/c21-16-8-11(28)4-5-17(16)25-20-13-6-7-22-9-15(13)12-2-1-3-14(18(12)26-20)19-23-10-24-27-19/h1-10,28H,(H,25,26)(H,23,24,27)
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n/an/a 2n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PIM1 using KKRNRTLTV as substrate by millipore assay in the presence of 90 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50357597
PNG
(CHEMBL1915448)
Show SMILES Clc1cc(OCCN2CCOCC2)ccc1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1
Show InChI InChI=1S/C26H24ClN7O2/c27-22-14-17(36-13-10-34-8-11-35-12-9-34)4-5-23(22)31-26-19-6-7-28-15-21(19)18-2-1-3-20(24(18)32-26)25-29-16-30-33-25/h1-7,14-16H,8-13H2,(H,31,32)(H,29,30,33)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PIM1 using KKRNRTLTV as substrate by millipore assay in the presence of 90 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50357597
PNG
(CHEMBL1915448)
Show SMILES Clc1cc(OCCN2CCOCC2)ccc1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1
Show InChI InChI=1S/C26H24ClN7O2/c27-22-14-17(36-13-10-34-8-11-35-12-9-34)4-5-23(22)31-26-19-6-7-28-15-21(19)18-2-1-3-20(24(18)32-26)25-29-16-30-33-25/h1-7,14-16H,8-13H2,(H,31,32)(H,29,30,33)
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n/an/a 2n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 30 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50357598
PNG
(CHEMBL1915449)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc3c(cccc3c3cnccc23)-c2nnc[nH]2)c(Cl)c1
Show InChI InChI=1S/C25H23ClN8/c1-33-9-11-34(12-10-33)16-5-6-22(21(26)13-16)30-25-18-7-8-27-14-20(18)17-3-2-4-19(23(17)31-25)24-28-15-29-32-24/h2-8,13-15H,9-12H2,1H3,(H,30,31)(H,28,29,32)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 30 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50357602
PNG
(CHEMBL1915636)
Show SMILES Fc1cccc(F)c1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1
Show InChI InChI=1S/C20H12F2N6/c21-15-5-2-6-16(22)18(15)27-20-12-7-8-23-9-14(12)11-3-1-4-13(17(11)26-20)19-24-10-25-28-19/h1-10H,(H,26,27)(H,24,25,28)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 30 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM50357591
PNG
(CHEMBL1915442)
Show SMILES Fc1ccccc1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1
Show InChI InChI=1S/C20H13FN6/c21-16-6-1-2-7-17(16)25-20-13-8-9-22-10-15(13)12-4-3-5-14(18(12)26-20)19-23-11-24-27-19/h1-11H,(H,25,26)(H,23,24,27)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 5 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM30024
PNG
(triazolothiadiazine, 10)
Show SMILES COc1ccc(OC)c(c1)-c1nnc2SCC(=Nn12)c1ccc(OC)c(O[C@@H]2CCOC2)c1
Show InChI InChI=1S/C23H24N4O5S/c1-28-15-5-7-19(29-2)17(11-15)22-24-25-23-27(22)26-18(13-33-23)14-4-6-20(30-3)21(10-14)32-16-8-9-31-12-16/h4-7,10-11,16H,8-9,12-13H2,1-3H3/t16-/m1/s1
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n/an/a 3n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM30023
PNG
(Racemic | cid_44142103 | triazolothiadiazine, 9)
Show SMILES COc1ccc(OC)c(c1)-c1nnc2SCC(=Nn12)c1ccc(OC)c(OC2CCOC2)c1
Show InChI InChI=1S/C23H24N4O5S/c1-28-15-5-7-19(29-2)17(11-15)22-24-25-23-27(22)26-18(13-33-23)14-4-6-20(30-3)21(10-14)32-16-8-9-31-12-16/h4-7,10-11,16H,8-9,12-13H2,1-3H3
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n/an/a 3.40n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM30038
PNG
(triazolothiadiazine, 32)
Show SMILES COc1ccc(cc1O[C@@H]1CCOC1)C1=Nn2c(SC1)nnc2-c1ccccc1Cl
Show InChI InChI=1S/C21H19ClN4O3S/c1-27-18-7-6-13(10-19(18)29-14-8-9-28-11-14)17-12-30-21-24-23-20(26(21)25-17)15-4-2-3-5-16(15)22/h2-7,10,14H,8-9,11-12H2,1H3/t14-/m1/s1
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n/an/a 3.80n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM50357616
PNG
(CHEMBL1915650)
Show SMILES CNC(=O)c1cccc2c1nc(Nc1ccccc1F)c1ccncc21
Show InChI InChI=1S/C20H15FN4O/c1-22-20(26)14-6-4-5-12-15-11-23-10-9-13(15)19(25-18(12)14)24-17-8-3-2-7-16(17)21/h2-11H,1H3,(H,22,26)(H,24,25)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 5 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM50357617
PNG
(CHEMBL1915651)
Show SMILES NC(=O)c1cccc2c1nc(Nc1c(F)cccc1F)c1ccncc21
Show InChI InChI=1S/C19H12F2N4O/c20-14-5-2-6-15(21)17(14)25-19-11-7-8-23-9-13(11)10-3-1-4-12(18(22)26)16(10)24-19/h1-9H,(H2,22,26)(H,24,25)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 5 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50357607
PNG
(CHEMBL1915641)
Show SMILES Fc1cc(OCCN2CCCC2)ccc1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1
Show InChI InChI=1S/C26H24FN7O/c27-22-14-17(35-13-12-34-10-1-2-11-34)6-7-23(22)31-26-19-8-9-28-15-21(19)18-4-3-5-20(24(18)32-26)25-29-16-30-33-25/h3-9,14-16H,1-2,10-13H2,(H,31,32)(H,29,30,33)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 30 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM50357611
PNG
(CHEMBL1915645)
Show SMILES CNC(=O)c1cccc2c1nc(Nc1cccc(OC)c1Cl)c1ccncc21
Show InChI InChI=1S/C21H17ClN4O2/c1-23-21(27)14-6-3-5-12-15-11-24-10-9-13(15)20(26-19(12)14)25-16-7-4-8-17(28-2)18(16)22/h3-11H,1-2H3,(H,23,27)(H,25,26)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 5 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM50357614
PNG
(CHEMBL1915648)
Show SMILES CC(C)CNC(=O)c1cccc2c3cnccc3c(Nc3ccccc3Cl)nc12
Show InChI InChI=1S/C23H21ClN4O/c1-14(2)12-26-23(29)17-7-5-6-15-18-13-25-11-10-16(18)22(28-21(15)17)27-20-9-4-3-8-19(20)24/h3-11,13-14H,12H2,1-2H3,(H,26,29)(H,27,28)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 5 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50357591
PNG
(CHEMBL1915442)
Show SMILES Fc1ccccc1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1
Show InChI InChI=1S/C20H13FN6/c21-16-6-1-2-7-17(16)25-20-13-8-9-22-10-15(13)12-4-3-5-14(18(12)26-20)19-23-11-24-27-19/h1-11H,(H,25,26)(H,23,24,27)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PIM1 using KKRNRTLTV as substrate by millipore assay in the presence of 90 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50357607
PNG
(CHEMBL1915641)
Show SMILES Fc1cc(OCCN2CCCC2)ccc1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1
Show InChI InChI=1S/C26H24FN7O/c27-22-14-17(35-13-12-34-10-1-2-11-34)6-7-23(22)31-26-19-8-9-28-15-21(19)18-4-3-5-20(24(18)32-26)25-29-16-30-33-25/h3-9,14-16H,1-2,10-13H2,(H,31,32)(H,29,30,33)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PIM1 using KKRNRTLTV as substrate by millipore assay in the presence of 90 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50357591
PNG
(CHEMBL1915442)
Show SMILES Fc1ccccc1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1
Show InChI InChI=1S/C20H13FN6/c21-16-6-1-2-7-17(16)25-20-13-8-9-22-10-15(13)12-4-3-5-14(18(12)26-20)19-23-11-24-27-19/h1-11H,(H,25,26)(H,23,24,27)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 30 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50357594
PNG
(CHEMBL1915445)
Show SMILES Oc1ccc(Nc2nc3c(cccc3c3cnccc23)-c2nnc[nH]2)c(Cl)c1
Show InChI InChI=1S/C20H13ClN6O/c21-16-8-11(28)4-5-17(16)25-20-13-6-7-22-9-15(13)12-2-1-3-14(18(12)26-20)19-23-10-24-27-19/h1-10,28H,(H,25,26)(H,23,24,27)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 30 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM50357591
PNG
(CHEMBL1915442)
Show SMILES Fc1ccccc1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1
Show InChI InChI=1S/C20H13FN6/c21-16-6-1-2-7-17(16)25-20-13-8-9-22-10-15(13)12-4-3-5-14(18(12)26-20)19-23-11-24-27-19/h1-11H,(H,25,26)(H,23,24,27)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PIM2 by millipore assay in the presence of 15 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM50357610
PNG
(CHEMBL1915644)
Show SMILES CNC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccncc21
Show InChI InChI=1S/C20H15ClN4O/c1-22-20(26)14-6-4-5-12-15-11-23-10-9-13(15)19(25-18(12)14)24-17-8-3-2-7-16(17)21/h2-11H,1H3,(H,22,26)(H,24,25)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PIM2 by millipore assay in the presence of 15 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50357587
PNG
(CHEMBL1915438)
Show SMILES Clc1ccccc1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1
Show InChI InChI=1S/C20H13ClN6/c21-16-6-1-2-7-17(16)25-20-13-8-9-22-10-15(13)12-4-3-5-14(18(12)26-20)19-23-11-24-27-19/h1-11H,(H,25,26)(H,23,24,27)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 30 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM50357587
PNG
(CHEMBL1915438)
Show SMILES Clc1ccccc1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1
Show InChI InChI=1S/C20H13ClN6/c21-16-6-1-2-7-17(16)25-20-13-8-9-22-10-15(13)12-4-3-5-14(18(12)26-20)19-23-11-24-27-19/h1-11H,(H,25,26)(H,23,24,27)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 5 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM50357592
PNG
(CHEMBL1915443)
Show SMILES Cc1ccccc1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1
Show InChI InChI=1S/C21H16N6/c1-13-5-2-3-8-18(13)25-21-15-9-10-22-11-17(15)14-6-4-7-16(19(14)26-21)20-23-12-24-27-20/h2-12H,1H3,(H,25,26)(H,23,24,27)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 5 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM50357604
PNG
(CHEMBL1915638)
Show SMILES Fc1ccc(Nc2nc3c(cccc3c3cnccc23)-c2nnc[nH]2)c(F)c1
Show InChI InChI=1S/C20H12F2N6/c21-11-4-5-17(16(22)8-11)26-20-13-6-7-23-9-15(13)12-2-1-3-14(18(12)27-20)19-24-10-25-28-19/h1-10H,(H,26,27)(H,24,25,28)
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n/an/a 6n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 5 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50357601
PNG
(CHEMBL1915635)
Show SMILES Cc1ccc(F)cc1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1
Show InChI InChI=1S/C21H15FN6/c1-12-5-6-13(22)9-18(12)26-21-15-7-8-23-10-17(15)14-3-2-4-16(19(14)27-21)20-24-11-25-28-20/h2-11H,1H3,(H,26,27)(H,24,25,28)
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n/an/a 6n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 30 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM50357587
PNG
(CHEMBL1915438)
Show SMILES Clc1ccccc1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1
Show InChI InChI=1S/C20H13ClN6/c21-16-6-1-2-7-17(16)25-20-13-8-9-22-10-15(13)12-4-3-5-14(18(12)26-20)19-23-11-24-27-19/h1-11H,(H,25,26)(H,23,24,27)
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n/an/a 6n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PIM2 by millipore assay in the presence of 15 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM30021
PNG
(triazolothiadiazine, 7)
Show SMILES COc1ccc(OC)c(c1)-c1nnc2SCC(=Nn12)c1ccc(OC)c(OCC2CC2)c1
Show InChI InChI=1S/C23H24N4O4S/c1-28-16-7-9-19(29-2)17(11-16)22-24-25-23-27(22)26-18(13-32-23)15-6-8-20(30-3)21(10-15)31-12-14-4-5-14/h6-11,14H,4-5,12-13H2,1-3H3
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n/an/a 6.10n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM30048
PNG
(triazolothiadiazine, 42)
Show SMILES COc1ccc(cc1O[C@@H]1CCOC1)C1=Nn2c(SC1)nnc2-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O3S/c1-30-18-7-6-13(10-19(18)32-14-8-9-31-11-14)17-12-33-21-27-26-20(29(21)28-17)15-4-2-3-5-16(15)22(23,24)25/h2-7,10,14H,8-9,11-12H2,1H3/t14-/m1/s1
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n/an/a 6.70n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM30019
PNG
(BMCL181297 Compound 5F | triazolothiadiazine, 5)
Show SMILES COc1ccc(OC)c(c1)-c1nnc2SCC(=Nn12)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H20N4O4S/c1-25-13-6-8-16(26-2)14(10-13)19-21-22-20-24(19)23-15(11-29-20)12-5-7-17(27-3)18(9-12)28-4/h5-10H,11H2,1-4H3
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n/an/a 6.70n/an/an/an/a7.222



National Human Genome Research Institute



Assay Description
Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assa...


Bioorg Med Chem Lett 19: 3686-92 (2009)

More data for this
Ligand-Target Pair
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