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PubMed code 24125851

Compile data set for download or QSAR
Found 48 hits of Enzyme Inhibition Constant Data   
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
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50441909
PNG
(CHEMBL2437292)
Show SMILES Clc1ccc(cc1)-c1csc(=N)n1CC(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H21ClN4OS/c22-17-8-6-16(7-9-17)19-15-28-21(23)26(19)14-20(27)25-12-10-24(11-13-25)18-4-2-1-3-5-18/h1-9,15,23H,10-14H2
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93n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A-4 hydrolase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50441915
PNG
(CHEMBL2437298)
Show SMILES CN1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H19ClN4OS/c1-19-6-8-20(9-7-19)15(22)10-21-14(11-23-16(21)18)12-2-4-13(17)5-3-12/h2-5,11,18H,6-10H2,1H3
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172n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A-4 hydrolase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50441915
PNG
(CHEMBL2437298)
Show SMILES CN1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H19ClN4OS/c1-19-6-8-20(9-7-19)15(22)10-21-14(11-23-16(21)18)12-2-4-13(17)5-3-12/h2-5,11,18H,6-10H2,1H3
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340n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate synthase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50441914
PNG
(CHEMBL2437296)
Show SMILES CN1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccc(C)cc1
Show InChI InChI=1S/C17H22N4OS/c1-13-3-5-14(6-4-13)15-12-23-17(18)21(15)11-16(22)20-9-7-19(2)8-10-20/h3-6,12,18H,7-11H2,1-2H3
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369n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A-4 hydrolase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50441909
PNG
(CHEMBL2437292)
Show SMILES Clc1ccc(cc1)-c1csc(=N)n1CC(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H21ClN4OS/c22-17-8-6-16(7-9-17)19-15-28-21(23)26(19)14-20(27)25-12-10-24(11-13-25)18-4-2-1-3-5-18/h1-9,15,23H,10-14H2
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501n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human MAPK1


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50441912
PNG
(CHEMBL2437295)
Show SMILES CC(=O)N1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H19ClN4O2S/c1-12(23)20-6-8-21(9-7-20)16(24)10-22-15(11-25-17(22)19)13-2-4-14(18)5-3-13/h2-5,11,19H,6-10H2,1H3
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607n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A-4 hydrolase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50441916
PNG
(CHEMBL2437300)
Show SMILES CN1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccccc1
Show InChI InChI=1S/C16H20N4OS/c1-18-7-9-19(10-8-18)15(21)11-20-14(12-22-16(20)17)13-5-3-2-4-6-13/h2-6,12,17H,7-11H2,1H3
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629n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A-4 hydrolase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50441910
PNG
(CHEMBL2437293)
Show SMILES N=c1scc(-c2ccccc2)n1CC(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H22N4OS/c22-21-25(19(16-27-21)17-7-3-1-4-8-17)15-20(26)24-13-11-23(12-14-24)18-9-5-2-6-10-18/h1-10,16,22H,11-15H2
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643n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A-4 hydrolase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50441912
PNG
(CHEMBL2437295)
Show SMILES CC(=O)N1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H19ClN4O2S/c1-12(23)20-6-8-21(9-7-20)16(24)10-22-15(11-25-17(22)19)13-2-4-14(18)5-3-13/h2-5,11,19H,6-10H2,1H3
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778n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human MAPK1


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50441908
PNG
(CHEMBL2437291)
Show SMILES Cc1ccc(cc1)-c1csc(=N)n1CC(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H24N4OS/c1-17-7-9-18(10-8-17)20-16-28-22(23)26(20)15-21(27)25-13-11-24(12-14-25)19-5-3-2-4-6-19/h2-10,16,23H,11-15H2,1H3
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1.03E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human vitamin D3 receptor


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50441918
PNG
(CHEMBL2437302)
Show SMILES Clc1ccc(cc1)-c1csc(=N)n1CC(=O)N1CCOCC1
Show InChI InChI=1S/C15H16ClN3O2S/c16-12-3-1-11(2-4-12)13-10-22-15(17)19(13)9-14(20)18-5-7-21-8-6-18/h1-4,10,17H,5-9H2
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1.06E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A-4 hydrolase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50441916
PNG
(CHEMBL2437300)
Show SMILES CN1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccccc1
Show InChI InChI=1S/C16H20N4OS/c1-18-7-9-19(10-8-18)15(21)11-20-14(12-22-16(20)17)13-5-3-2-4-6-13/h2-6,12,17H,7-11H2,1H3
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1.14E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate synthase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50441910
PNG
(CHEMBL2437293)
Show SMILES N=c1scc(-c2ccccc2)n1CC(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H22N4OS/c22-21-25(19(16-27-21)17-7-3-1-4-8-17)15-20(26)24-13-11-23(12-14-24)18-9-5-2-6-10-18/h1-10,16,22H,11-15H2
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1.36E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate synthase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50441910
PNG
(CHEMBL2437293)
Show SMILES N=c1scc(-c2ccccc2)n1CC(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H22N4OS/c22-21-25(19(16-27-21)17-7-3-1-4-8-17)15-20(26)24-13-11-23(12-14-24)18-9-5-2-6-10-18/h1-10,16,22H,11-15H2
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1.60E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human vitamin D3 receptor


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50441911
PNG
(CHEMBL2437294)
Show SMILES CC(=O)N1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccc(C)cc1
Show InChI InChI=1S/C18H22N4O2S/c1-13-3-5-15(6-4-13)16-12-25-18(19)22(16)11-17(24)21-9-7-20(8-10-21)14(2)23/h3-6,12,19H,7-11H2,1-2H3
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1.64E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A-4 hydrolase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50441910
PNG
(CHEMBL2437293)
Show SMILES N=c1scc(-c2ccccc2)n1CC(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H22N4OS/c22-21-25(19(16-27-21)17-7-3-1-4-8-17)15-20(26)24-13-11-23(12-14-24)18-9-5-2-6-10-18/h1-10,16,22H,11-15H2
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1.73E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human MAPK1


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50441914
PNG
(CHEMBL2437296)
Show SMILES CN1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccc(C)cc1
Show InChI InChI=1S/C17H22N4OS/c1-13-3-5-14(6-4-13)15-12-23-17(18)21(15)11-16(22)20-9-7-19(2)8-10-20/h3-6,12,18H,7-11H2,1-2H3
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1.89E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human MAPK1


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50441908
PNG
(CHEMBL2437291)
Show SMILES Cc1ccc(cc1)-c1csc(=N)n1CC(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H24N4OS/c1-17-7-9-18(10-8-17)20-16-28-22(23)26(20)15-21(27)25-13-11-24(12-14-25)19-5-3-2-4-6-19/h2-10,16,23H,11-15H2,1H3
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2.09E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human MAPK1


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50441911
PNG
(CHEMBL2437294)
Show SMILES CC(=O)N1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccc(C)cc1
Show InChI InChI=1S/C18H22N4O2S/c1-13-3-5-15(6-4-13)16-12-25-18(19)22(16)11-17(24)21-9-7-20(8-10-21)14(2)23/h3-6,12,19H,7-11H2,1-2H3
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2.23E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human MAPK1


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50441912
PNG
(CHEMBL2437295)
Show SMILES CC(=O)N1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H19ClN4O2S/c1-12(23)20-6-8-21(9-7-20)16(24)10-22-15(11-25-17(22)19)13-2-4-14(18)5-3-13/h2-5,11,19H,6-10H2,1H3
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2.28E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human vitamin D3 receptor


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50441913
PNG
(CHEMBL2437297)
Show SMILES CC(=O)N1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccccc1
Show InChI InChI=1S/C17H20N4O2S/c1-13(22)19-7-9-20(10-8-19)16(23)11-21-15(12-24-17(21)18)14-5-3-2-4-6-14/h2-6,12,18H,7-11H2,1H3
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2.59E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A-4 hydrolase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50441911
PNG
(CHEMBL2437294)
Show SMILES CC(=O)N1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccc(C)cc1
Show InChI InChI=1S/C18H22N4O2S/c1-13-3-5-15(6-4-13)16-12-25-18(19)22(16)11-17(24)21-9-7-20(8-10-21)14(2)23/h3-6,12,19H,7-11H2,1-2H3
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2.84E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human vitamin D3 receptor


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50441909
PNG
(CHEMBL2437292)
Show SMILES Clc1ccc(cc1)-c1csc(=N)n1CC(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H21ClN4OS/c22-17-8-6-16(7-9-17)19-15-28-21(23)26(19)14-20(27)25-12-10-24(11-13-25)18-4-2-1-3-5-18/h1-9,15,23H,10-14H2
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3.07E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human vitamin D3 receptor


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50441917
PNG
(CHEMBL2437299)
Show SMILES Cc1ccc(cc1)-c1csc(=N)n1CC(=O)N1CCOCC1
Show InChI InChI=1S/C16H19N3O2S/c1-12-2-4-13(5-3-12)14-11-22-16(17)19(14)10-15(20)18-6-8-21-9-7-18/h2-5,11,17H,6-10H2,1H3
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3.56E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A-4 hydrolase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50441911
PNG
(CHEMBL2437294)
Show SMILES CC(=O)N1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccc(C)cc1
Show InChI InChI=1S/C18H22N4O2S/c1-13-3-5-15(6-4-13)16-12-25-18(19)22(16)11-17(24)21-9-7-20(8-10-21)14(2)23/h3-6,12,19H,7-11H2,1-2H3
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3.65E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate synthase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50441915
PNG
(CHEMBL2437298)
Show SMILES CN1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H19ClN4OS/c1-19-6-8-20(9-7-19)15(22)10-21-14(11-23-16(21)18)12-2-4-13(17)5-3-12/h2-5,11,18H,6-10H2,1H3
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3.66E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human vitamin D3 receptor


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50441913
PNG
(CHEMBL2437297)
Show SMILES CC(=O)N1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccccc1
Show InChI InChI=1S/C17H20N4O2S/c1-13(22)19-7-9-20(10-8-19)16(23)11-21-15(12-24-17(21)18)14-5-3-2-4-6-14/h2-6,12,18H,7-11H2,1H3
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3.67E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human MAPK1


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50441918
PNG
(CHEMBL2437302)
Show SMILES Clc1ccc(cc1)-c1csc(=N)n1CC(=O)N1CCOCC1
Show InChI InChI=1S/C15H16ClN3O2S/c16-12-3-1-11(2-4-12)13-10-22-15(17)19(13)9-14(20)18-5-7-21-8-6-18/h1-4,10,17H,5-9H2
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3.73E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate synthase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50441917
PNG
(CHEMBL2437299)
Show SMILES Cc1ccc(cc1)-c1csc(=N)n1CC(=O)N1CCOCC1
Show InChI InChI=1S/C16H19N3O2S/c1-12-2-4-13(5-3-12)14-11-22-16(17)19(14)10-15(20)18-6-8-21-9-7-18/h2-5,11,17H,6-10H2,1H3
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4.06E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate synthase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50441918
PNG
(CHEMBL2437302)
Show SMILES Clc1ccc(cc1)-c1csc(=N)n1CC(=O)N1CCOCC1
Show InChI InChI=1S/C15H16ClN3O2S/c16-12-3-1-11(2-4-12)13-10-22-15(17)19(13)9-14(20)18-5-7-21-8-6-18/h1-4,10,17H,5-9H2
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4.13E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human vitamin D3 receptor


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50441908
PNG
(CHEMBL2437291)
Show SMILES Cc1ccc(cc1)-c1csc(=N)n1CC(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H24N4OS/c1-17-7-9-18(10-8-17)20-16-28-22(23)26(20)15-21(27)25-13-11-24(12-14-25)19-5-3-2-4-6-19/h2-10,16,23H,11-15H2,1H3
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4.29E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A-4 hydrolase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50441913
PNG
(CHEMBL2437297)
Show SMILES CC(=O)N1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccccc1
Show InChI InChI=1S/C17H20N4O2S/c1-13(22)19-7-9-20(10-8-19)16(23)11-21-15(12-24-17(21)18)14-5-3-2-4-6-14/h2-6,12,18H,7-11H2,1H3
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4.66E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human vitamin D3 receptor


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50441916
PNG
(CHEMBL2437300)
Show SMILES CN1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccccc1
Show InChI InChI=1S/C16H20N4OS/c1-18-7-9-19(10-8-18)15(21)11-20-14(12-22-16(20)17)13-5-3-2-4-6-13/h2-6,12,17H,7-11H2,1H3
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4.89E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human MAPK1


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50441909
PNG
(CHEMBL2437292)
Show SMILES Clc1ccc(cc1)-c1csc(=N)n1CC(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H21ClN4OS/c22-17-8-6-16(7-9-17)19-15-28-21(23)26(19)14-20(27)25-12-10-24(11-13-25)18-4-2-1-3-5-18/h1-9,15,23H,10-14H2
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5.09E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate synthase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50441908
PNG
(CHEMBL2437291)
Show SMILES Cc1ccc(cc1)-c1csc(=N)n1CC(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H24N4OS/c1-17-7-9-18(10-8-17)20-16-28-22(23)26(20)15-21(27)25-13-11-24(12-14-25)19-5-3-2-4-6-19/h2-10,16,23H,11-15H2,1H3
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5.60E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate synthase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50441919
PNG
(CHEMBL2437301)
Show SMILES N=c1scc(-c2ccccc2)n1CC(=O)N1CCOCC1
Show InChI InChI=1S/C15H17N3O2S/c16-15-18(10-14(19)17-6-8-20-9-7-17)13(11-21-15)12-4-2-1-3-5-12/h1-5,11,16H,6-10H2
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6.22E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate synthase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50441919
PNG
(CHEMBL2437301)
Show SMILES N=c1scc(-c2ccccc2)n1CC(=O)N1CCOCC1
Show InChI InChI=1S/C15H17N3O2S/c16-15-18(10-14(19)17-6-8-20-9-7-17)13(11-21-15)12-4-2-1-3-5-12/h1-5,11,16H,6-10H2
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8.65E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A-4 hydrolase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50441915
PNG
(CHEMBL2437298)
Show SMILES CN1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H19ClN4OS/c1-19-6-8-20(9-7-19)15(22)10-21-14(11-23-16(21)18)12-2-4-13(17)5-3-12/h2-5,11,18H,6-10H2,1H3
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8.84E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human MAPK1


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50441918
PNG
(CHEMBL2437302)
Show SMILES Clc1ccc(cc1)-c1csc(=N)n1CC(=O)N1CCOCC1
Show InChI InChI=1S/C15H16ClN3O2S/c16-12-3-1-11(2-4-12)13-10-22-15(17)19(13)9-14(20)18-5-7-21-8-6-18/h1-4,10,17H,5-9H2
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9.18E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human MAPK1


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50441917
PNG
(CHEMBL2437299)
Show SMILES Cc1ccc(cc1)-c1csc(=N)n1CC(=O)N1CCOCC1
Show InChI InChI=1S/C16H19N3O2S/c1-12-2-4-13(5-3-12)14-11-22-16(17)19(14)10-15(20)18-6-8-21-9-7-18/h2-5,11,17H,6-10H2,1H3
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9.78E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human MAPK1


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50441913
PNG
(CHEMBL2437297)
Show SMILES CC(=O)N1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccccc1
Show InChI InChI=1S/C17H20N4O2S/c1-13(22)19-7-9-20(10-8-19)16(23)11-21-15(12-24-17(21)18)14-5-3-2-4-6-14/h2-6,12,18H,7-11H2,1H3
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1.09E+4n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate synthase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50441912
PNG
(CHEMBL2437295)
Show SMILES CC(=O)N1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H19ClN4O2S/c1-12(23)20-6-8-21(9-7-20)16(24)10-22-15(11-25-17(22)19)13-2-4-14(18)5-3-13/h2-5,11,19H,6-10H2,1H3
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1.13E+4n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate synthase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50441917
PNG
(CHEMBL2437299)
Show SMILES Cc1ccc(cc1)-c1csc(=N)n1CC(=O)N1CCOCC1
Show InChI InChI=1S/C16H19N3O2S/c1-12-2-4-13(5-3-12)14-11-22-16(17)19(14)10-15(20)18-6-8-21-9-7-18/h2-5,11,17H,6-10H2,1H3
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1.37E+4n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human vitamin D3 receptor


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50441919
PNG
(CHEMBL2437301)
Show SMILES N=c1scc(-c2ccccc2)n1CC(=O)N1CCOCC1
Show InChI InChI=1S/C15H17N3O2S/c16-15-18(10-14(19)17-6-8-20-9-7-17)13(11-21-15)12-4-2-1-3-5-12/h1-5,11,16H,6-10H2
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1.38E+4n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human MAPK1


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50441914
PNG
(CHEMBL2437296)
Show SMILES CN1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccc(C)cc1
Show InChI InChI=1S/C17H22N4OS/c1-13-3-5-14(6-4-13)15-12-23-17(18)21(15)11-16(22)20-9-7-19(2)8-10-20/h3-6,12,18H,7-11H2,1-2H3
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MMDB

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PubMed
1.71E+4n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human vitamin D3 receptor


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50441914
PNG
(CHEMBL2437296)
Show SMILES CN1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccc(C)cc1
Show InChI InChI=1S/C17H22N4OS/c1-13-3-5-14(6-4-13)15-12-23-17(18)21(15)11-16(22)20-9-7-19(2)8-10-20/h3-6,12,18H,7-11H2,1-2H3
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1.93E+4n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate synthase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50441919
PNG
(CHEMBL2437301)
Show SMILES N=c1scc(-c2ccccc2)n1CC(=O)N1CCOCC1
Show InChI InChI=1S/C15H17N3O2S/c16-15-18(10-14(19)17-6-8-20-9-7-17)13(11-21-15)12-4-2-1-3-5-12/h1-5,11,16H,6-10H2
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2.44E+4n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human vitamin D3 receptor


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50441916
PNG
(CHEMBL2437300)
Show SMILES CN1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccccc1
Show InChI InChI=1S/C16H20N4OS/c1-18-7-9-19(10-8-18)15(21)11-20-14(12-22-16(20)17)13-5-3-2-4-6-13/h2-6,12,17H,7-11H2,1H3
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PubMed
2.83E+4n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human vitamin D3 receptor


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%