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Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'schwaebe' and Initial = 'mk'   
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
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168462
PNG
(2-(2,4-Dichloro-phenyl)-4-methyl-6-(1-propyl-butyl...)
Show SMILES CCCC(CCC)N1CCc2nn(-c3ccc(Cl)cc3Cl)c3nc(C)cc1c23
Show InChI InChI=1S/C22H26Cl2N4/c1-4-6-16(7-5-2)27-11-10-18-21-20(27)12-14(3)25-22(21)28(26-18)19-9-8-15(23)13-17(19)24/h8-9,12-13,16H,4-7,10-11H2,1-3H3
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2.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)

More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074501
PNG
(Butyl-ethyl-[2,5,6-trimethyl-7-(2,4,6-trimethyl-ph...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C
Show InChI InChI=1S/C24H34N4/c1-9-11-12-27(10-2)23-21-18(6)19(7)28(24(21)26-20(8)25-23)22-16(4)13-15(3)14-17(22)5/h13-14H,9-12H2,1-8H3
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3.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)

More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168475
PNG
(1-(2-Chloro-4-methyl-phenyl)-7-methyl-5-(1-propyl-...)
Show SMILES CCCC(CCC)N1CCc2cn(-c3ccc(C)cc3Cl)c3nc(C)cc1c23
Show InChI InChI=1S/C24H30ClN3/c1-5-7-19(8-6-2)27-12-11-18-15-28(21-10-9-16(3)13-20(21)25)24-23(18)22(27)14-17(4)26-24/h9-10,13-15,19H,5-8,11-12H2,1-4H3
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3.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)

More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168466
PNG
(1-(2,4-Dichloro-phenyl)-7-methyl-5-(1-propyl-butyl...)
Show SMILES CCCC(CCC)N1CCc2cn(-c3ccc(Cl)cc3Cl)c3nc(C)cc1c23
Show InChI InChI=1S/C23H27Cl2N3/c1-4-6-18(7-5-2)27-11-10-16-14-28(20-9-8-17(24)13-19(20)25)23-22(16)21(27)12-15(3)26-23/h8-9,12-14,18H,4-7,10-11H2,1-3H3
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4.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)

More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168463
PNG
(1-(2,6-Dimethoxy-pyridin-3-yl)-7-methyl-5-(1-propy...)
Show SMILES CCCC(CCC)N1CCc2cn(-c3ccc(OC)nc3OC)c3nc(C)cc1c23
Show InChI InChI=1S/C24H32N4O2/c1-6-8-18(9-7-2)27-13-12-17-15-28(23-22(17)20(27)14-16(3)25-23)19-10-11-21(29-4)26-24(19)30-5/h10-11,14-15,18H,6-9,12-13H2,1-5H3
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5.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)

More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168474
PNG
(5-(1-Ethyl-propyl)-7-methyl-1-(2-methyl-4-trifluor...)
Show SMILES CCC(CC)N1CCc2cn(-c3ccc(OC(F)(F)F)cc3C)c3nc(C)cc1c23
Show InChI InChI=1S/C23H26F3N3O/c1-5-17(6-2)28-10-9-16-13-29(22-21(16)20(28)12-15(4)27-22)19-8-7-18(11-14(19)3)30-23(24,25)26/h7-8,11-13,17H,5-6,9-10H2,1-4H3
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6n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)

More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168464
PNG
(1-(4-Methoxy-2-methyl-phenyl)-7-methyl-5-(1-propyl...)
Show SMILES CCCC(CCC)N1CCc2cn(-c3ccc(OC)cc3C)c3nc(C)cc1c23
Show InChI InChI=1S/C25H33N3O/c1-6-8-20(9-7-2)27-13-12-19-16-28(22-11-10-21(29-5)14-17(22)3)25-24(19)23(27)15-18(4)26-25/h10-11,14-16,20H,6-9,12-13H2,1-5H3
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6.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)

More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168473
PNG
(3-Chloro-4-[7-methyl-5-(1-propyl-butyl)-4,5-dihydr...)
Show SMILES CCCC(CCC)N1CCc2cn(-c3ccc(cc3Cl)C#N)c3nc(C)cc1c23
Show InChI InChI=1S/C24H27ClN4/c1-4-6-19(7-5-2)28-11-10-18-15-29(21-9-8-17(14-26)13-20(21)25)24-23(18)22(28)12-16(3)27-24/h8-9,12-13,15,19H,4-7,10-11H2,1-3H3
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7.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)

More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50116105
PNG
(3-(6-(dimethylamino)-4-methylpyridin-3-yl)-2,5-dim...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C
Show InChI InChI=1S/C22H32N6/c1-8-10-27(11-9-2)20-13-16(4)24-22-21(17(5)25-28(20)22)18-14-23-19(26(6)7)12-15(18)3/h12-14H,8-11H2,1-7H3
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7.80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)

More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168477
PNG
(1-(2-Chloro-4-methanesulfonyl-phenyl)-7-methyl-5-(...)
Show SMILES CCCC(CCC)N1CCc2cn(-c3ccc(cc3Cl)S(C)(=O)=O)c3nc(C)cc1c23
Show InChI InChI=1S/C24H30ClN3O2S/c1-5-7-18(8-6-2)27-12-11-17-15-28(24-23(17)22(27)13-16(3)26-24)21-10-9-19(14-20(21)25)31(4,29)30/h9-10,13-15,18H,5-8,11-12H2,1-4H3
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13n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)

More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168465
PNG
(5-Chloro-2-[7-methyl-5-(1-propyl-butyl)-4,5-dihydr...)
Show SMILES CCCC(CCC)N1CCc2cn(-c3ccc(Cl)cc3C#N)c3nc(C)cc1c23
Show InChI InChI=1S/C24H27ClN4/c1-4-6-20(7-5-2)28-11-10-17-15-29(21-9-8-19(25)13-18(21)14-26)24-23(17)22(28)12-16(3)27-24/h8-9,12-13,15,20H,4-7,10-11H2,1-3H3
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13n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)

More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168469
PNG
(1-(4-Chloro-2,6-dimethyl-phenyl)-5-(1-methoxymethy...)
Show SMILES CCC(COC)N1CCc2cn(-c3c(C)cc(Cl)cc3C)c3nc(C)cc1c23
Show InChI InChI=1S/C23H28ClN3O/c1-6-19(13-28-5)26-8-7-17-12-27(22-14(2)9-18(24)10-15(22)3)23-21(17)20(26)11-16(4)25-23/h9-12,19H,6-8,13H2,1-5H3
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16n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)

More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168478
PNG
(7-Methyl-5-(1-propyl-butyl)-1-p-tolyl-1,3,4,5-tetr...)
Show SMILES CCCC(CCC)N1CCc2cn(-c3ccc(C)cc3)c3nc(C)cc1c23
Show InChI InChI=1S/C24H31N3/c1-5-7-20(8-6-2)26-14-13-19-16-27(21-11-9-17(3)10-12-21)24-23(19)22(26)15-18(4)25-24/h9-12,15-16,20H,5-8,13-14H2,1-4H3
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30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)

More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168480
PNG
(5-Chloro-2-[5-(1-methoxymethyl-propyl)-7-methyl-4,...)
Show SMILES CCC(COC)N1CCc2cn(-c3ccc(Cl)cc3C#N)c3nc(C)cc1c23
Show InChI InChI=1S/C22H23ClN4O/c1-4-18(13-28-3)26-8-7-15-12-27(19-6-5-17(23)10-16(19)11-24)22-21(15)20(26)9-14(2)25-22/h5-6,9-10,12,18H,4,7-8,13H2,1-3H3
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40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)

More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168461
PNG
(2-(5-Butyl-7-methyl-4,5-dihydro-3H-1,5,8-triaza-ac...)
Show SMILES CCCCN1CCc2cn(-c3ccc(Cl)cc3C#N)c3nc(C)cc1c23
Show InChI InChI=1S/C21H21ClN4/c1-3-4-8-25-9-7-15-13-26(18-6-5-17(22)11-16(18)12-23)21-20(15)19(25)10-14(2)24-21/h5-6,10-11,13H,3-4,7-9H2,1-2H3
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49n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)

More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168460
PNG
(1-(2-Methoxy-phenyl)-7-methyl-5-(1-propyl-butyl)-1...)
Show SMILES CCCC(CCC)N1CCc2cn(-c3ccccc3OC)c3nc(C)cc1c23
Show InChI InChI=1S/C24H31N3O/c1-5-9-19(10-6-2)26-14-13-18-16-27(20-11-7-8-12-22(20)28-4)24-23(18)21(26)15-17(3)25-24/h7-8,11-12,15-16,19H,5-6,9-10,13-14H2,1-4H3
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55n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)

More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168467
PNG
(5-Chloro-2-[5-(1-ethyl-propyl)-7-methyl-4,5-dihydr...)
Show SMILES CCC(CC)N1CCc2cn(-c3ccc(Cl)cc3C#N)c3nc(C)cc1c23
Show InChI InChI=1S/C22H23ClN4/c1-4-18(5-2)26-9-8-15-13-27(19-7-6-17(23)11-16(19)12-24)22-21(15)20(26)10-14(3)25-22/h6-7,10-11,13,18H,4-5,8-9H2,1-3H3
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62n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)

More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168479
PNG
(5-Chloro-2-[5-(2-methoxy-1-methoxymethyl-ethyl)-7-...)
Show SMILES COCC(COC)N1CCc2cn(-c3ccc(Cl)cc3C#N)c3nc(C)cc1c23
Show InChI InChI=1S/C22H23ClN4O2/c1-14-8-20-21-15(6-7-26(20)18(12-28-2)13-29-3)11-27(22(21)25-14)19-5-4-17(23)9-16(19)10-24/h4-5,8-9,11,18H,6-7,12-13H2,1-3H3
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120n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)

More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168468
PNG
(1-(3-Methoxy-phenyl)-7-methyl-5-(1-propyl-butyl)-1...)
Show SMILES CCCC(CCC)N1CCc2cn(-c3cccc(OC)c3)c3nc(C)cc1c23
Show InChI InChI=1S/C24H31N3O/c1-5-8-19(9-6-2)26-13-12-18-16-27(20-10-7-11-21(15-20)28-4)24-23(18)22(26)14-17(3)25-24/h7,10-11,14-16,19H,5-6,8-9,12-13H2,1-4H3
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190n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)

More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168470
PNG
(1-(4-Chloro-2-methyl-benzyl)-7-methyl-5-(1-propyl-...)
Show SMILES CCCC(CCC)N1CCc2cn(Cc3ccc(Cl)cc3C)c3nc(C)cc1c23
Show InChI InChI=1S/C25H32ClN3/c1-5-7-22(8-6-2)29-12-11-20-16-28(15-19-9-10-21(26)13-17(19)3)25-24(20)23(29)14-18(4)27-25/h9-10,13-14,16,22H,5-8,11-12,15H2,1-4H3
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1.90E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)

More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168476
PNG
(1-(3-Isopropoxy-propyl)-7-methyl-5-(1-propyl-butyl...)
Show SMILES CCCC(CCC)N1CCc2cn(CCCOC(C)C)c3nc(C)cc1c23
Show InChI InChI=1S/C23H37N3O/c1-6-9-20(10-7-2)26-13-11-19-16-25(12-8-14-27-17(3)4)23-22(19)21(26)15-18(5)24-23/h15-17,20H,6-14H2,1-5H3
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4.10E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)

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
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