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Compile Data Set for Download or QSAR

Found 68 hits with Last Name = 'omori' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50384714
PNG
(CHEMBL2037200)
Show SMILES CN1CCCN(CC1)C(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)o1
Show InChI InChI=1S/C26H24ClN3O3/c1-29-10-3-11-30(13-12-29)26(32)18-5-2-4-17(14-18)24-9-7-20(33-24)16-22-21-15-19(27)6-8-23(21)28-25(22)31/h2,4-9,14-16H,3,10-13H2,1H3,(H,28,31)/b22-16+
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate


ACS Med Chem Lett 3: 135-139 (2012)

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
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
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50384706
PNG
(CHEMBL2037204)
Show SMILES CN1CCCN(CC1)C(=O)c1ccc(F)c(c1)-c1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)o1
Show InChI InChI=1S/C26H23ClFN3O3/c1-30-9-2-10-31(12-11-30)26(33)16-3-6-22(28)21(13-16)24-8-5-18(34-24)15-20-19-14-17(27)4-7-23(19)29-25(20)32/h3-8,13-15H,2,9-12H2,1H3,(H,29,32)/b20-15+
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

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


(Homo sapiens (human))
BDBM50384706
PNG
(CHEMBL2037204)
Show SMILES CN1CCCN(CC1)C(=O)c1ccc(F)c(c1)-c1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)o1
Show InChI InChI=1S/C26H23ClFN3O3/c1-30-9-2-10-31(12-11-30)26(33)16-3-6-22(28)21(13-16)24-8-5-18(34-24)15-20-19-14-17(27)4-7-23(19)29-25(20)32/h3-8,13-15H,2,9-12H2,1H3,(H,29,32)/b20-15+
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

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


(Homo sapiens (Human))
BDBM50384715
PNG
(CHEMBL2037201)
Show SMILES Clc1ccc2NC(=O)\C(=C\c3ccc(o3)-c3cccc(c3)C(=O)N3CCCNCC3)c2c1
Show InChI InChI=1S/C25H22ClN3O3/c26-18-5-7-22-20(14-18)21(24(30)28-22)15-19-6-8-23(32-19)16-3-1-4-17(13-16)25(31)29-11-2-9-27-10-12-29/h1,3-8,13-15,27H,2,9-12H2,(H,28,30)/b21-15+
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

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


(Homo sapiens (Human))
BDBM50384714
PNG
(CHEMBL2037200)
Show SMILES CN1CCCN(CC1)C(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)o1
Show InChI InChI=1S/C26H24ClN3O3/c1-29-10-3-11-30(13-12-29)26(32)18-5-2-4-17(14-18)24-9-7-20(33-24)16-22-21-15-19(27)6-8-23(21)28-25(22)31/h2,4-9,14-16H,3,10-13H2,1H3,(H,28,31)/b22-16+
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50335639
PNG
(7-((1H-tetrazol-5-yl)methyl)indolo[1,2-a]quinazoli...)
Show SMILES O=c1[nH]c2c(Cc3nnn[nH]3)c3ccccc3n2c2ccccc12
Show InChI InChI=1S/C17H12N6O/c24-17-11-6-2-4-8-14(11)23-13-7-3-1-5-10(13)12(16(23)18-17)9-15-19-21-22-20-15/h1-8H,9H2,(H,18,24)(H,19,20,21,22)
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n/an/a 12n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PARP1 at 1 uM by chemiluminescence assay


J Med Chem 54: 635-54 (2011)

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


(Homo sapiens (Human))
BDBM50384714
PNG
(CHEMBL2037200)
Show SMILES CN1CCCN(CC1)C(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)o1
Show InChI InChI=1S/C26H24ClN3O3/c1-29-10-3-11-30(13-12-29)26(32)18-5-2-4-17(14-18)24-9-7-20(33-24)16-22-21-15-19(27)6-8-23(21)28-25(22)31/h2,4-9,14-16H,3,10-13H2,1H3,(H,28,31)/b22-16+
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Pim3 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

More data for this
Ligand-Target Pair
Death-associated protein kinase 3


(Homo sapiens)
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 17n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAPK3 by radiometric assay


J Med Chem 54: 635-54 (2011)

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


(Homo sapiens (Human))
BDBM50384717
PNG
(CHEMBL2037203)
Show SMILES CN1CCCN(CC1)C(=O)c1ccc(Cl)c(c1)-c1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)o1
Show InChI InChI=1S/C26H23Cl2N3O3/c1-30-9-2-10-31(12-11-30)26(33)16-3-6-22(28)21(13-16)24-8-5-18(34-24)15-20-19-14-17(27)4-7-23(19)29-25(20)32/h3-8,13-15H,2,9-12H2,1H3,(H,29,32)/b20-15+
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

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


(Homo sapiens (Human))
BDBM50384709
PNG
(CHEMBL2037195)
Show SMILES Clc1ccc2NC(=O)\C(=C\c3ccc(o3)-c3cccc(c3)C(=O)NCCN3CCCC3)c2c1
Show InChI InChI=1S/C26H24ClN3O3/c27-19-6-8-23-21(15-19)22(26(32)29-23)16-20-7-9-24(33-20)17-4-3-5-18(14-17)25(31)28-10-13-30-11-1-2-12-30/h3-9,14-16H,1-2,10-13H2,(H,28,31)(H,29,32)/b22-16+
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

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


(Homo sapiens (human))
BDBM50384715
PNG
(CHEMBL2037201)
Show SMILES Clc1ccc2NC(=O)\C(=C\c3ccc(o3)-c3cccc(c3)C(=O)N3CCCNCC3)c2c1
Show InChI InChI=1S/C25H22ClN3O3/c26-18-5-7-22-20(14-18)21(24(30)28-22)15-19-6-8-23(32-19)16-3-1-4-17(13-16)25(31)29-11-2-9-27-10-12-29/h1,3-8,13-15,27H,2,9-12H2,(H,28,30)/b21-15+
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

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


(Homo sapiens (Human))
BDBM50384713
PNG
(CHEMBL2037199)
Show SMILES OCCCNC(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)o1
Show InChI InChI=1S/C23H19ClN2O4/c24-16-5-7-20-18(12-16)19(23(29)26-20)13-17-6-8-21(30-17)14-3-1-4-15(11-14)22(28)25-9-2-10-27/h1,3-8,11-13,27H,2,9-10H2,(H,25,28)(H,26,29)/b19-13+
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

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


(Homo sapiens (human))
BDBM50384714
PNG
(CHEMBL2037200)
Show SMILES CN1CCCN(CC1)C(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)o1
Show InChI InChI=1S/C26H24ClN3O3/c1-29-10-3-11-30(13-12-29)26(32)18-5-2-4-17(14-18)24-9-7-20(33-24)16-22-21-15-19(27)6-8-23(21)28-25(22)31/h2,4-9,14-16H,3,10-13H2,1H3,(H,28,31)/b22-16+
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(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 35n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TBK1 by radiometric assay


J Med Chem 54: 635-54 (2011)

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


(Homo sapiens (human))
BDBM50384713
PNG
(CHEMBL2037199)
Show SMILES OCCCNC(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)o1
Show InChI InChI=1S/C23H19ClN2O4/c24-16-5-7-20-18(12-16)19(23(29)26-20)13-17-6-8-21(30-17)14-3-1-4-15(11-14)22(28)25-9-2-10-27/h1,3-8,11-13,27H,2,9-10H2,(H,25,28)(H,26,29)/b19-13+
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

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


(Homo sapiens (human))
BDBM50384718
PNG
(CHEMBL2037205)
Show SMILES CN1CCCN(CC1)C(=O)c1cccc(c1)-c1ccc(o1)C(C)=C1C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C27H26ClN3O3/c1-17(25-21-16-20(28)7-8-22(21)29-26(25)32)23-9-10-24(34-23)18-5-3-6-19(15-18)27(33)31-12-4-11-30(2)13-14-31/h3,5-10,15-16H,4,11-14H2,1-2H3,(H,29,32)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

More data for this
Ligand-Target Pair
CDC2-like kinase 3 (CLK3)


(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 41n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CLK3 by radiometric assay


J Med Chem 54: 635-54 (2011)

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


(Homo sapiens (Human))
BDBM50384708
PNG
(CHEMBL2037135)
Show SMILES O=C(NCCN1CCCC1)c1cccc(c1)-c1ccc(\C=C2\C(=O)Nc3ccccc23)o1
Show InChI InChI=1S/C26H25N3O3/c30-25(27-12-15-29-13-3-4-14-29)19-7-5-6-18(16-19)24-11-10-20(32-24)17-22-21-8-1-2-9-23(21)28-26(22)31/h1-2,5-11,16-17H,3-4,12-15H2,(H,27,30)(H,28,31)/b22-17+
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

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


(Homo sapiens (Human))
BDBM50384711
PNG
(CHEMBL2037197)
Show SMILES Clc1cccc2\C(=C/c3ccc(o3)-c3cccc(c3)C(=O)NCCN3CCCC3)C(=O)Nc12
Show InChI InChI=1S/C26H24ClN3O3/c27-22-8-4-7-20-21(26(32)29-24(20)22)16-19-9-10-23(33-19)17-5-3-6-18(15-17)25(31)28-11-14-30-12-1-2-13-30/h3-10,15-16H,1-2,11-14H2,(H,28,31)(H,29,32)/b21-16+
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 3


(Homo sapiens)
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 45n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HIPK3 by radiometric assay


J Med Chem 54: 635-54 (2011)

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


(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 46n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PIM1 by radiometric assay


J Med Chem 54: 635-54 (2011)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(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 55n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3 by radiometric assay


J Med Chem 54: 635-54 (2011)

More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens-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 56n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK1/Cyclin B by radiometric assay


J Med Chem 54: 635-54 (2011)

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


(Homo sapiens (Human))
BDBM50384718
PNG
(CHEMBL2037205)
Show SMILES CN1CCCN(CC1)C(=O)c1cccc(c1)-c1ccc(o1)C(C)=C1C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C27H26ClN3O3/c1-17(25-21-16-20(28)7-8-22(21)29-26(25)32)23-9-10-24(34-23)18-5-3-6-19(15-18)27(33)31-12-4-11-30(2)13-14-31/h3,5-10,15-16H,4,11-14H2,1-2H3,(H,29,32)
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n/an/a 57n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50335641
PNG
(4-Oxo-4,5-dihydrothieno[3,2-c]quinoline-7-carboxam...)
Show SMILES NC(=O)c1ccc2c3sccc3c(=O)[nH]c2c1
Show InChI InChI=1S/C12H8N2O2S/c13-11(15)6-1-2-7-9(5-6)14-12(16)8-3-4-17-10(7)8/h1-5H,(H2,13,15)(H,14,16)
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n/an/a 60n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by chemiluminescence assay


J Med Chem 54: 635-54 (2011)

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


(Homo sapiens (human))
BDBM50384709
PNG
(CHEMBL2037195)
Show SMILES Clc1ccc2NC(=O)\C(=C\c3ccc(o3)-c3cccc(c3)C(=O)NCCN3CCCC3)c2c1
Show InChI InChI=1S/C26H24ClN3O3/c27-19-6-8-23-21(15-19)22(26(32)29-23)16-20-7-9-24(33-20)17-4-3-5-18(14-17)25(31)28-10-13-30-11-1-2-12-30/h3-9,14-16H,1-2,10-13H2,(H,28,31)(H,29,32)/b22-16+
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

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


(Homo sapiens (Human))
BDBM50384716
PNG
(CHEMBL2037202)
Show SMILES CN1CCCN(CC1)C(=O)c1cncc(n1)-c1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)o1
Show InChI InChI=1S/C24H22ClN5O3/c1-29-7-2-8-30(10-9-29)24(32)21-14-26-13-20(27-21)22-6-4-16(33-22)12-18-17-11-15(25)3-5-19(17)28-23(18)31/h3-6,11-14H,2,7-10H2,1H3,(H,28,31)/b18-12+
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n/an/a 67n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

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


(Homo sapiens (Human))
BDBM50384710
PNG
(CHEMBL2037196)
Show SMILES Fc1ccc2NC(=O)\C(=C\c3ccc(o3)-c3cccc(c3)C(=O)NCCN3CCCC3)c2c1
Show InChI InChI=1S/C26H24FN3O3/c27-19-6-8-23-21(15-19)22(26(32)29-23)16-20-7-9-24(33-20)17-4-3-5-18(14-17)25(31)28-10-13-30-11-1-2-12-30/h3-9,14-16H,1-2,10-13H2,(H,28,31)(H,29,32)/b22-16+
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n/an/a 74.4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

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


(Homo sapiens (human))
BDBM50384719
PNG
(CHEMBL2037206)
Show SMILES CCC(=C1C(=O)Nc2ccc(Cl)cc12)c1ccc(o1)-c1cccc(c1)C(=O)N1CCCN(C)CC1
Show InChI InChI=1S/C28H28ClN3O3/c1-3-21(26-22-17-20(29)8-9-23(22)30-27(26)33)25-11-10-24(35-25)18-6-4-7-19(16-18)28(34)32-13-5-12-31(2)14-15-32/h4,6-11,16-17H,3,5,12-15H2,1-2H3,(H,30,33)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

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


(Homo sapiens (human))
BDBM50384712
PNG
(CHEMBL2037198)
Show SMILES Fc1ccc2NC(=O)\C(=C\c3ccc(o3)-c3cccc(c3)C(=O)NC3CC3)c2c1
Show InChI InChI=1S/C23H17FN2O3/c24-15-4-8-20-18(11-15)19(23(28)26-20)12-17-7-9-21(29-17)13-2-1-3-14(10-13)22(27)25-16-5-6-16/h1-4,7-12,16H,5-6H2,(H,25,27)(H,26,28)/b19-12+
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

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


(Homo sapiens (human))
BDBM50384710
PNG
(CHEMBL2037196)
Show SMILES Fc1ccc2NC(=O)\C(=C\c3ccc(o3)-c3cccc(c3)C(=O)NCCN3CCCC3)c2c1
Show InChI InChI=1S/C26H24FN3O3/c27-19-6-8-23-21(15-19)22(26(32)29-23)16-20-7-9-24(33-20)17-4-3-5-18(14-17)25(31)28-10-13-30-11-1-2-12-30/h3-9,14-16H,1-2,10-13H2,(H,28,31)(H,29,32)/b22-16+
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

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


(Homo sapiens (Human))
BDBM50384719
PNG
(CHEMBL2037206)
Show SMILES CCC(=C1C(=O)Nc2ccc(Cl)cc12)c1ccc(o1)-c1cccc(c1)C(=O)N1CCCN(C)CC1
Show InChI InChI=1S/C28H28ClN3O3/c1-3-21(26-22-17-20(29)8-9-23(22)30-27(26)33)25-11-10-24(35-25)18-6-4-7-19(16-18)28(34)32-13-5-12-31(2)14-15-32/h4,6-11,16-17H,3,5,12-15H2,1-2H3,(H,30,33)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50384714
PNG
(CHEMBL2037200)
Show SMILES CN1CCCN(CC1)C(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)o1
Show InChI InChI=1S/C26H24ClN3O3/c1-29-10-3-11-30(13-12-29)26(32)18-5-2-4-17(14-18)24-9-7-20(33-24)16-22-21-15-19(27)6-8-23(21)28-25(22)31/h2,4-9,14-16H,3,10-13H2,1H3,(H,28,31)/b22-16+
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n/an/a 134n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Flt3 using EAIYAAPFAKKK as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50384715
PNG
(CHEMBL2037201)
Show SMILES Clc1ccc2NC(=O)\C(=C\c3ccc(o3)-c3cccc(c3)C(=O)N3CCCNCC3)c2c1
Show InChI InChI=1S/C25H22ClN3O3/c26-18-5-7-22-20(14-18)21(24(30)28-22)15-19-6-8-23(32-19)16-3-1-4-17(13-16)25(31)29-11-2-9-27-10-12-29/h1,3-8,13-15,27H,2,9-12H2,(H,28,30)/b21-15+
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Flt3 using EAIYAAPFAKKK as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

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


(Homo sapiens (human))
BDBM50384717
PNG
(CHEMBL2037203)
Show SMILES CN1CCCN(CC1)C(=O)c1ccc(Cl)c(c1)-c1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)o1
Show InChI InChI=1S/C26H23Cl2N3O3/c1-30-9-2-10-31(12-11-30)26(33)16-3-6-22(28)21(13-16)24-8-5-18(34-24)15-20-19-14-17(27)4-7-23(19)29-25(20)32/h3-8,13-15H,2,9-12H2,1H3,(H,29,32)/b20-15+
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n/an/a 217n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

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


(Homo sapiens (human))
BDBM50384716
PNG
(CHEMBL2037202)
Show SMILES CN1CCCN(CC1)C(=O)c1cncc(n1)-c1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)o1
Show InChI InChI=1S/C24H22ClN5O3/c1-29-7-2-8-30(10-9-29)24(32)21-14-26-13-20(27-21)22-6-4-16(33-22)12-18-17-11-15(25)3-5-19(17)28-23(18)31/h3-6,11-14H,2,7-10H2,1H3,(H,28,31)/b18-12+
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

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


(Homo sapiens (Human))
BDBM50384707
PNG
(CHEMBL2037133)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)Nc3ccccc23)o1
Show InChI InChI=1S/C20H13NO4/c22-19-16(15-6-1-2-7-17(15)21-19)11-14-8-9-18(25-14)12-4-3-5-13(10-12)20(23)24/h1-11H,(H,21,22)(H,23,24)/b16-11+
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n/an/a 386n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50335642
PNG
(7-(Hydroxymethyl)thieno[3,2-c]quinolin-4(5H)-one |...)
Show SMILES OCc1ccc2c3sccc3c(=O)[nH]c2c1
Show InChI InChI=1S/C12H9NO2S/c14-6-7-1-2-8-10(5-7)13-12(15)9-3-4-16-11(8)9/h1-5,14H,6H2,(H,13,15)
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n/an/a 400n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by chemiluminescence assay


J Med Chem 54: 635-54 (2011)

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


(Homo sapiens (human))
BDBM50384711
PNG
(CHEMBL2037197)
Show SMILES Clc1cccc2\C(=C/c3ccc(o3)-c3cccc(c3)C(=O)NCCN3CCCC3)C(=O)Nc12
Show InChI InChI=1S/C26H24ClN3O3/c27-22-8-4-7-20-21(26(32)29-24(20)22)16-19-9-10-23(33-19)17-5-3-6-18(15-17)25(31)28-11-14-30-12-1-2-13-30/h3-10,15-16H,1-2,11-14H2,(H,28,31)(H,29,32)/b21-16+
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

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


(Homo sapiens (Human))
BDBM50384712
PNG
(CHEMBL2037198)
Show SMILES Fc1ccc2NC(=O)\C(=C\c3ccc(o3)-c3cccc(c3)C(=O)NC3CC3)c2c1
Show InChI InChI=1S/C23H17FN2O3/c24-15-4-8-20-18(11-15)19(23(28)26-20)12-17-7-9-21(29-17)13-2-1-3-14(10-13)22(27)25-16-5-6-16/h1-4,7-12,16H,5-6H2,(H,25,27)(H,26,28)/b19-12+
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n/an/a 506n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50150613
PNG
(CHEMBL179992 | CHEMBL182645 | [(1R,4S,7aR)-1-(1,5-...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCCC2(C)COP(O)(O)=O
Show InChI InChI=1S/C20H39O4P/c1-15(2)8-6-9-16(3)17-10-11-18-19(4,14-24-25(21,22)23)12-7-13-20(17,18)5/h15-18H,6-14H2,1-5H3,(H2,21,22,23)/t16-,17-,18?,19?,20-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory concentration againsts dual-specificity phosphatase Cell division cycle (Cdc) 25A


Bioorg Med Chem Lett 14: 4339-42 (2004)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50335640
PNG
(4-Oxo-4,5-dihydrothieno[3,2-c]quinoline-7-carboxyl...)
Show SMILES OC(=O)c1ccc2c3sccc3c(=O)[nH]c2c1
Show InChI InChI=1S/C12H7NO3S/c14-11-8-3-4-17-10(8)7-2-1-6(12(15)16)5-9(7)13-11/h1-5H,(H,13,14)(H,15,16)
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n/an/a 700n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by chemiluminescence assay


J Med Chem 54: 635-54 (2011)

More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50150613
PNG
(CHEMBL179992 | CHEMBL182645 | [(1R,4S,7aR)-1-(1,5-...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCCC2(C)COP(O)(O)=O
Show InChI InChI=1S/C20H39O4P/c1-15(2)8-6-9-16(3)17-10-11-18-19(4,14-24-25(21,22)23)12-7-13-20(17,18)5/h15-18H,6-14H2,1-5H3,(H2,21,22,23)/t16-,17-,18?,19?,20-/m1/s1
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n/an/a 900n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory concentration againsts dual-specificity phosphatase Cell division cycle (Cdc) 25A


Bioorg Med Chem Lett 14: 4339-42 (2004)

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


(Homo sapiens (Human))
BDBM50384715
PNG
(CHEMBL2037201)
Show SMILES Clc1ccc2NC(=O)\C(=C\c3ccc(o3)-c3cccc(c3)C(=O)N3CCCNCC3)c2c1
Show InChI InChI=1S/C25H22ClN3O3/c26-18-5-7-22-20(14-18)21(24(30)28-22)15-19-6-8-23(32-19)16-3-1-4-17(13-16)25(31)29-11-2-9-27-10-12-29/h1,3-8,13-15,27H,2,9-12H2,(H,28,30)/b21-15+
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Pim3 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)

More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50150612
PNG
(CHEMBL181402 | CHEMBL182548 | Phosphoric acid mono...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCCC2(C)CCOP(O)(O)=O
Show InChI InChI=1S/C21H41O4P/c1-16(2)8-6-9-17(3)18-10-11-19-20(4,12-7-13-21(18,19)5)14-15-25-26(22,23)24/h16-19H,6-15H2,1-5H3,(H2,22,23,24)/t17-,18-,19?,20?,21-/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory concentration agaunst dual-specificity phosphatase Cell division cycle (Cdc) 25B


Bioorg Med Chem Lett 14: 4339-42 (2004)

More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50150608
PNG
(2-[1-(1,5-dimethylhexyl)-4,7a-dimethylperhydro-4-i...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCCC2(C)CCO
Show InChI InChI=1S/C21H40O/c1-16(2)8-6-9-17(3)18-10-11-19-20(4,14-15-22)12-7-13-21(18,19)5/h16-19,22H,6-15H2,1-5H3/t17-,18-,19?,20?,21-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory concentration agaunst dual-specificity phosphatase Cell division cycle (Cdc) 25B


Bioorg Med Chem Lett 14: 4339-42 (2004)

More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50150608
PNG
(2-[1-(1,5-dimethylhexyl)-4,7a-dimethylperhydro-4-i...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCCC2(C)CCO
Show InChI InChI=1S/C21H40O/c1-16(2)8-6-9-17(3)18-10-11-19-20(4,14-15-22)12-7-13-21(18,19)5/h16-19,22H,6-15H2,1-5H3/t17-,18-,19?,20?,21-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory concentration agaunst dual-specificity phosphatase Cell division cycle (Cdc) 25B


Bioorg Med Chem Lett 14: 4339-42 (2004)

More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50150613
PNG
(CHEMBL179992 | CHEMBL182645 | [(1R,4S,7aR)-1-(1,5-...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCCC2(C)COP(O)(O)=O
Show InChI InChI=1S/C20H39O4P/c1-15(2)8-6-9-16(3)17-10-11-18-19(4,14-24-25(21,22)23)12-7-13-20(17,18)5/h15-18H,6-14H2,1-5H3,(H2,21,22,23)/t16-,17-,18?,19?,20-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory concentration agaunst dual-specificity phosphatase Cell division cycle (Cdc) 25B


Bioorg Med Chem Lett 14: 4339-42 (2004)

More data for this
Ligand-Target Pair
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