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Compile Data Set for Download or QSAR

Found 36 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
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
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
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
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
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
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
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
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
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 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
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
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
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50150610
PNG
(1-(1,5-dimethylhexyl)-4,7a-dimethylperhydro-4-inde...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCCC2(C)CO
Show InChI InChI=1S/C20H38O/c1-15(2)8-6-9-16(3)17-10-11-18-19(4,14-21)12-7-13-20(17,18)5/h15-18,21H,6-14H2,1-5H3/t16-,17-,18?,19?,20-/m1/s1
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n/an/a 3.30E+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))
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 3.70E+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
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50150615
PNG
((1R,4S,7aR)-1-((R)-1,5-Dimethyl-hexyl)-7a-methyl-o...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H](O)CCC[C@]12C
Show InChI InChI=1S/C18H34O/c1-13(2)7-5-8-14(3)15-10-11-16-17(19)9-6-12-18(15,16)4/h13-17,19H,5-12H2,1-4H3/t14-,15-,16?,17+,18-/m1/s1
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n/an/a 3.90E+3n/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
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50150610
PNG
(1-(1,5-dimethylhexyl)-4,7a-dimethylperhydro-4-inde...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCCC2(C)CO
Show InChI InChI=1S/C20H38O/c1-15(2)8-6-9-16(3)17-10-11-18-19(4,14-21)12-7-13-20(17,18)5/h15-18,21H,6-14H2,1-5H3/t16-,17-,18?,19?,20-/m1/s1
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n/an/a 4.50E+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))
BDBM50150611
PNG
(CHEMBL362416 | Phosphoric acid mono-[(1R,4S,7aR)-1...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@H](CCC[C@]12C)OP(O)(O)=O
Show InChI InChI=1S/C18H35O4P/c1-13(2)7-5-8-14(3)15-10-11-16-17(22-23(19,20)21)9-6-12-18(15,16)4/h13-17H,5-12H2,1-4H3,(H2,19,20,21)/t14-,15-,16?,17+,18-/m1/s1
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n/an/a 5.00E+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
phosphatase Cdc25


(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 5.50E+3n/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
phosphatase Cdc25


(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 5.50E+3n/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
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50150615
PNG
((1R,4S,7aR)-1-((R)-1,5-Dimethyl-hexyl)-7a-methyl-o...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H](O)CCC[C@]12C
Show InChI InChI=1S/C18H34O/c1-13(2)7-5-8-14(3)15-10-11-16-17(19)9-6-12-18(15,16)4/h13-17,19H,5-12H2,1-4H3/t14-,15-,16?,17+,18-/m1/s1
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n/an/a 5.80E+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))
BDBM50087141
PNG
((E)-2-((1R,7aR)-7a-methyl-1-((R)-6-methylheptan-2-...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C(O)=O
Show InChI InChI=1S/C20H34O2/c1-14(2)7-5-8-15(3)17-10-11-18-16(13-19(21)22)9-6-12-20(17,18)4/h13-15,17-18H,5-12H2,1-4H3,(H,21,22)/b16-13+/t15-,17-,18?,20-/m1/s1
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n/an/a 5.90E+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))
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 6.80E+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
phosphatase Cdc25


(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 6.90E+3n/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
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50150611
PNG
(CHEMBL362416 | Phosphoric acid mono-[(1R,4S,7aR)-1...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@H](CCC[C@]12C)OP(O)(O)=O
Show InChI InChI=1S/C18H35O4P/c1-13(2)7-5-8-14(3)15-10-11-16-17(22-23(19,20)21)9-6-12-18(15,16)4/h13-17H,5-12H2,1-4H3,(H2,19,20,21)/t14-,15-,16?,17+,18-/m1/s1
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n/an/a 8.20E+3n/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
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50150610
PNG
(1-(1,5-dimethylhexyl)-4,7a-dimethylperhydro-4-inde...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCCC2(C)CO
Show InChI InChI=1S/C20H38O/c1-15(2)8-6-9-16(3)17-10-11-18-19(4,14-21)12-7-13-20(17,18)5/h15-18,21H,6-14H2,1-5H3/t16-,17-,18?,19?,20-/m1/s1
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n/an/a 8.50E+3n/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
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50341997
PNG
(CHEMBL1765353 | Dysidiolide)
Show SMILES C[C@@H]1CC=C2[C@@H](CCC[C@@]2(C)CCCC(C)=C)[C@]1(C)C[C@@H](O)C1=CC(=O)O[C@H]1O
Show InChI InChI=1S/C25H38O4/c1-16(2)8-6-12-24(4)13-7-9-20-19(24)11-10-17(3)25(20,5)15-21(26)18-14-22(27)29-23(18)28/h11,14,17,20-21,23,26,28H,1,6-10,12-13,15H2,2-5H3/t17-,20-,21-,23-,24-,25-/m1/s1
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n/an/a 9.40E+3n/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
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50087141
PNG
((E)-2-((1R,7aR)-7a-methyl-1-((R)-6-methylheptan-2-...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C(O)=O
Show InChI InChI=1S/C20H34O2/c1-14(2)7-5-8-15(3)17-10-11-18-16(13-19(21)22)9-6-12-20(17,18)4/h13-15,17-18H,5-12H2,1-4H3,(H,21,22)/b16-13+/t15-,17-,18?,20-/m1/s1
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n/an/a 1.72E+4n/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
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50150610
PNG
(1-(1,5-dimethylhexyl)-4,7a-dimethylperhydro-4-inde...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCCC2(C)CO
Show InChI InChI=1S/C20H38O/c1-15(2)8-6-9-16(3)17-10-11-18-19(4,14-21)12-7-13-20(17,18)5/h15-18,21H,6-14H2,1-5H3/t16-,17-,18?,19?,20-/m1/s1
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n/an/a 2.27E+4n/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
phosphatase Cdc25


(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 2.45E+4n/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