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Compile Data Set for Download or QSAR

Found 24 hits with Last Name = 'chaurasia' and Initial = 's'   
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
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Rattus norvegicus (rat))
BDBM14712
PNG
((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,10H,1H3,(H,17,19)
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n/an/a 20n/an/an/an/an/an/a



Universit£ di Torino

Curated by ChEMBL


Assay Description
Inhibition of DHODH in Wistar rat liver homogenates by DCIP reduction assay


Eur J Med Chem 46: 383-92 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.029
BindingDB Entry DOI: 10.7270/Q2SQ90NX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50440473
PNG
(CHEMBL2425904)
Show SMILES Nc1nc(Nc2ccc(cc2)S(=O)(=O)NCCO)nc(OCC2CCCCC2)c1[N+](=O)[N-]C#N
Show InChI InChI=1S/C20H26N8O5S/c21-13-23-28(30)17-18(22)26-20(27-19(17)33-12-14-4-2-1-3-5-14)25-15-6-8-16(9-7-15)34(31,32)24-10-11-29/h6-9,14,24,29H,1-5,10-12H2,(H3,22,25,26,27)/b28-23-
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n/an/a 71n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B (unknown origin)


Eur J Med Chem 68: 333-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.031
BindingDB Entry DOI: 10.7270/Q2ZW1NB0
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50440474
PNG
(CHEMBL2425903)
Show SMILES CNS(=O)(=O)c1ccc(Nc2nc(N)c(c(OCC3CCCCC3)n2)[N+](=O)[N-]C#N)cc1
Show InChI InChI=1S/C19H24N8O4S/c1-22-32(29,30)15-9-7-14(8-10-15)24-19-25-17(21)16(27(28)23-12-20)18(26-19)31-11-13-5-3-2-4-6-13/h7-10,13,22H,2-6,11H2,1H3,(H3,21,24,25,26)/b27-23-
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n/an/a 140n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B (unknown origin)


Eur J Med Chem 68: 333-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.031
BindingDB Entry DOI: 10.7270/Q2ZW1NB0
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50440473
PNG
(CHEMBL2425904)
Show SMILES Nc1nc(Nc2ccc(cc2)S(=O)(=O)NCCO)nc(OCC2CCCCC2)c1[N+](=O)[N-]C#N
Show InChI InChI=1S/C20H26N8O5S/c21-13-23-28(30)17-18(22)26-20(27-19(17)33-12-14-4-2-1-3-5-14)25-15-6-8-16(9-7-15)34(31,32)24-10-11-29/h6-9,14,24,29H,1-5,10-12H2,(H3,22,25,26,27)/b28-23-
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n/an/a 560n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P25 (unknown origin)


Eur J Med Chem 68: 333-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.031
BindingDB Entry DOI: 10.7270/Q2ZW1NB0
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM12577
PNG
(Bisphosphonate 2 | CHEMBL997 | JMC515594 Compound ...)
Show SMILES CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)
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n/an/a 640n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase in rat liver microsomes assessed as conversion of [1-3H]FPP to [3H]squalene level after 60 mins by liquid scintillati...


Bioorg Med Chem 18: 2428-38 (2010)


Article DOI: 10.1016/j.bmc.2010.02.058
BindingDB Entry DOI: 10.7270/Q2V124ZP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50440474
PNG
(CHEMBL2425903)
Show SMILES CNS(=O)(=O)c1ccc(Nc2nc(N)c(c(OCC3CCCCC3)n2)[N+](=O)[N-]C#N)cc1
Show InChI InChI=1S/C19H24N8O4S/c1-22-32(29,30)15-9-7-14(8-10-15)24-19-25-17(21)16(27(28)23-12-20)18(26-19)31-11-13-5-3-2-4-6-13/h7-10,13,22H,2-6,11H2,1H3,(H3,21,24,25,26)/b27-23-
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n/an/a 775n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P25 (unknown origin)


Eur J Med Chem 68: 333-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.031
BindingDB Entry DOI: 10.7270/Q2ZW1NB0
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50440473
PNG
(CHEMBL2425904)
Show SMILES Nc1nc(Nc2ccc(cc2)S(=O)(=O)NCCO)nc(OCC2CCCCC2)c1[N+](=O)[N-]C#N
Show InChI InChI=1S/C20H26N8O5S/c21-13-23-28(30)17-18(22)26-20(27-19(17)33-12-14-4-2-1-3-5-14)25-15-6-8-16(9-7-15)34(31,32)24-10-11-29/h6-9,14,24,29H,1-5,10-12H2,(H3,22,25,26,27)/b28-23-
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n/an/a 875n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CyclinT (unknown origin)


Eur J Med Chem 68: 333-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.031
BindingDB Entry DOI: 10.7270/Q2ZW1NB0
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50440474
PNG
(CHEMBL2425903)
Show SMILES CNS(=O)(=O)c1ccc(Nc2nc(N)c(c(OCC3CCCCC3)n2)[N+](=O)[N-]C#N)cc1
Show InChI InChI=1S/C19H24N8O4S/c1-22-32(29,30)15-9-7-14(8-10-15)24-19-25-17(21)16(27(28)23-12-20)18(26-19)31-11-13-5-3-2-4-6-13/h7-10,13,22H,2-6,11H2,1H3,(H3,21,24,25,26)/b27-23-
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n/an/a 1.50E+3n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of CDK7/Cyclin H (unknown origin)


Eur J Med Chem 68: 333-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.031
BindingDB Entry DOI: 10.7270/Q2ZW1NB0
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50440473
PNG
(CHEMBL2425904)
Show SMILES Nc1nc(Nc2ccc(cc2)S(=O)(=O)NCCO)nc(OCC2CCCCC2)c1[N+](=O)[N-]C#N
Show InChI InChI=1S/C20H26N8O5S/c21-13-23-28(30)17-18(22)26-20(27-19(17)33-12-14-4-2-1-3-5-14)25-15-6-8-16(9-7-15)34(31,32)24-10-11-29/h6-9,14,24,29H,1-5,10-12H2,(H3,22,25,26,27)/b28-23-
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n/an/a 1.55E+3n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of CDK7/Cyclin H (unknown origin)


Eur J Med Chem 68: 333-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.031
BindingDB Entry DOI: 10.7270/Q2ZW1NB0
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Rattus norvegicus (rat))
BDBM50054601
PNG
(5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazole...)
Show SMILES Cc1oncc1C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Universit£ di Torino

Curated by ChEMBL


Assay Description
Inhibition of DHODH in Wistar rat liver homogenates by DCIP reduction assay


Eur J Med Chem 46: 383-92 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.029
BindingDB Entry DOI: 10.7270/Q2SQ90NX
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50440474
PNG
(CHEMBL2425903)
Show SMILES CNS(=O)(=O)c1ccc(Nc2nc(N)c(c(OCC3CCCCC3)n2)[N+](=O)[N-]C#N)cc1
Show InChI InChI=1S/C19H24N8O4S/c1-22-32(29,30)15-9-7-14(8-10-15)24-19-25-17(21)16(27(28)23-12-20)18(26-19)31-11-13-5-3-2-4-6-13/h7-10,13,22H,2-6,11H2,1H3,(H3,21,24,25,26)/b27-23-
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n/an/a 1.66E+3n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CyclinT (unknown origin)


Eur J Med Chem 68: 333-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.031
BindingDB Entry DOI: 10.7270/Q2ZW1NB0
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM5566
PNG
(2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...)
Show SMILES Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1
Show InChI InChI=1S/C11H17N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h7H,1-6H2,(H4,12,13,14,15)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B (unknown origin)


Eur J Med Chem 68: 333-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.031
BindingDB Entry DOI: 10.7270/Q2ZW1NB0
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50315414
PNG
((5-(4-Phenylsulfonylfurazan-3-yloxy)-1-hydroxypent...)
Show SMILES OC(CCCCOc1nonc1S(=O)(=O)c1ccccc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C13H18N2O11P2S/c16-13(27(17,18)19,28(20,21)22)8-4-5-9-25-11-12(15-26-14-11)29(23,24)10-6-2-1-3-7-10/h1-3,6-7,16H,4-5,8-9H2,(H2,17,18,19)(H2,20,21,22)
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n/an/a 3.71E+3n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase in rat liver microsomes assessed as conversion of [1-3H]FPP to [3H]squalene level after 60 mins by liquid scintillati...


Bioorg Med Chem 18: 2428-38 (2010)


Article DOI: 10.1016/j.bmc.2010.02.058
BindingDB Entry DOI: 10.7270/Q2V124ZP
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50315415
PNG
((5-(3-Phenylsulfonylfuroxan-4-yloxy)-1-hydroxypent...)
Show SMILES OC(CCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)([P+](O)(O)[O-])[P+](O)(O)[O-]
Show InChI InChI=1S/C13H18N2O12P2S/c16-13(28(18,19)20,29(21,22)23)8-4-5-9-26-11-12(15(17)27-14-11)30(24,25)10-6-2-1-3-7-10/h1-3,6-7,16H,4-5,8-9H2,(H2,18,19,20)(H2,21,22,23)
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n/an/a 7.95E+3n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase in rat liver microsomes assessed as conversion of [1-3H]FPP to [3H]squalene level after 60 mins by liquid scintillati...


Bioorg Med Chem 18: 2428-38 (2010)


Article DOI: 10.1016/j.bmc.2010.02.058
BindingDB Entry DOI: 10.7270/Q2V124ZP
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Rattus norvegicus (rat))
BDBM50335631
PNG
(2-Nitro-3-oxo-3-[(4-trifluoromethyl)phenyl]aminopr...)
Show SMILES [O-][N+](=O)C(=C=[N-])C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C10H5F3N3O3/c11-10(12,13)6-1-3-7(4-2-6)15-9(17)8(5-14)16(18)19/h1-4H,(H,15,17)/q-1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Universit£ di Torino

Curated by ChEMBL


Assay Description
Inhibition of DHODH in Wistar rat liver homogenates by DCIP reduction assay


Eur J Med Chem 46: 383-92 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.029
BindingDB Entry DOI: 10.7270/Q2SQ90NX
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50315412
PNG
(5-(4-Phenylfurazan-3-yloxy)pentylidenebis(phosphon...)
Show SMILES OP(O)(=O)C(CCCCOc1nonc1-c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C13H18N2O8P2/c16-24(17,18)11(25(19,20)21)8-4-5-9-22-13-12(14-23-15-13)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H2,16,17,18)(H2,19,20,21)
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n/an/a 1.77E+4n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase in rat liver microsomes assessed as conversion of [1-3H]FPP to [3H]squalene level after 60 mins by liquid scintillati...


Bioorg Med Chem 18: 2428-38 (2010)


Article DOI: 10.1016/j.bmc.2010.02.058
BindingDB Entry DOI: 10.7270/Q2V124ZP
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50315413
PNG
(5-(3-Phenylfuroxan-4-yloxy)pentylidenebis(phosphon...)
Show SMILES O[P+](O)([O-])C(CCCCOc1no[n+]([O-])c1-c1ccccc1)[P+](O)(O)[O-]
Show InChI InChI=1S/C13H18N2O9P2/c16-15-12(10-6-2-1-3-7-10)13(14-24-15)23-9-5-4-8-11(25(17,18)19)26(20,21)22/h1-3,6-7,11H,4-5,8-9H2,(H2,17,18,19)(H2,20,21,22)
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n/an/a 2.30E+4n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase in rat liver microsomes assessed as conversion of [1-3H]FPP to [3H]squalene level after 60 mins by liquid scintillati...


Bioorg Med Chem 18: 2428-38 (2010)


Article DOI: 10.1016/j.bmc.2010.02.058
BindingDB Entry DOI: 10.7270/Q2V124ZP
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Rattus norvegicus (rat))
BDBM50335629
PNG
(2-Nitro-3-oxo-3-(biphenyl-4-yl)aminopropionitrile ...)
Show SMILES [O-][N+](=O)C(=C=[N-])C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C15H10N3O3/c16-10-14(18(20)21)15(19)17-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,(H,17,19)/q-1
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n/an/a 2.60E+4n/an/an/an/an/an/a



Universit£ di Torino

Curated by ChEMBL


Assay Description
Inhibition of DHODH in Wistar rat liver homogenates by DCIP reduction assay


Eur J Med Chem 46: 383-92 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.029
BindingDB Entry DOI: 10.7270/Q2SQ90NX
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50277785
PNG
(4'-Amino-6'-methylsulfanyl-[1,1';2',1'']terphenyl-...)
Show SMILES CSc1c(C#N)c(N)c(C#N)c(-c2ccccc2)c1-c1ccccc1
Show InChI InChI=1S/C21H15N3S/c1-25-21-17(13-23)20(24)16(12-22)18(14-8-4-2-5-9-14)19(21)15-10-6-3-7-11-15/h2-11H,24H2,1H3
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n/an/a 5.80E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Bioorg Med Chem Lett 19: 2158-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.118
BindingDB Entry DOI: 10.7270/Q28G8KKM
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Rattus norvegicus (rat))
BDBM50335630
PNG
(2-Hydroxyimino-3-oxo-3-[4-(trifluoromethyl)phenyl]...)
Show SMILES FC(F)(F)c1ccc(NC(=O)C(N=O)C#N)cc1
Show InChI InChI=1S/C10H6F3N3O2/c11-10(12,13)6-1-3-7(4-2-6)15-9(17)8(5-14)16-18/h1-4,8H,(H,15,17)
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n/an/a 6.00E+4n/an/an/an/an/an/a



Universit£ di Torino

Curated by ChEMBL


Assay Description
Inhibition of DHODH in Wistar rat liver homogenates by DCIP reduction assay


Eur J Med Chem 46: 383-92 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.029
BindingDB Entry DOI: 10.7270/Q2SQ90NX
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50277825
PNG
(4'-Amino-4,4''-dimethoxy-6'-methylsulfanyl-[1,1';2...)
Show SMILES COc1ccc(cc1)-c1c(SC)c(C#N)c(N)c(C#N)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C23H19N3O2S/c1-27-16-8-4-14(5-9-16)20-18(12-24)22(26)19(13-25)23(29-3)21(20)15-6-10-17(28-2)11-7-15/h4-11H,26H2,1-3H3
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n/an/a 7.20E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Bioorg Med Chem Lett 19: 2158-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.118
BindingDB Entry DOI: 10.7270/Q28G8KKM
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Rattus norvegicus (rat))
BDBM50335632
PNG
(2-Nitro-3-(4-nitrophenyl)amino-3-oxopropionitrile ...)
Show SMILES [O-][N+](=O)C(=C=[N-])C(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C9H5N4O5/c10-5-8(13(17)18)9(14)11-6-1-3-7(4-2-6)12(15)16/h1-4H,(H,11,14)/q-1
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n/an/a 7.40E+4n/an/an/an/an/an/a



Universit£ di Torino

Curated by ChEMBL


Assay Description
Inhibition of DHODH in Wistar rat liver homogenates by DCIP reduction assay


Eur J Med Chem 46: 383-92 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.029
BindingDB Entry DOI: 10.7270/Q2SQ90NX
More data for this
Ligand-Target Pair
Glucose-6-phosphatase catalytic subunit 1


(Homo sapiens (Human))
BDBM50277824
PNG
(4'-Amino-4-fluoro-2'',4''-dimethoxy-6'-methylsulfa...)
Show SMILES COc1ccc(c(OC)c1)-c1c(C#N)c(N)c(C#N)c(SC)c1-c1ccc(F)cc1 |(18.9,-.54,;20.24,-1.31,;21.57,-.54,;21.57,1.01,;22.9,1.77,;24.24,1,;24.24,-.53,;25.57,-1.3,;25.58,-2.84,;22.91,-1.31,;25.57,1.77,;26.9,1,;26.9,-.54,;26.89,-2.08,;28.24,1.77,;29.58,1,;28.23,3.32,;29.57,4.1,;30.89,4.88,;26.9,4.08,;26.89,5.62,;28.23,6.4,;25.57,3.31,;24.24,4.08,;24.24,5.62,;22.91,6.39,;21.58,5.62,;20.24,6.39,;21.58,4.08,;22.91,3.31,)|
Show InChI InChI=1S/C23H18FN3O2S/c1-28-15-8-9-16(19(10-15)29-2)21-17(11-25)22(27)18(12-26)23(30-3)20(21)13-4-6-14(24)7-5-13/h4-10H,27H2,1-3H3
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n/an/a 7.90E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of glucose-6-phosphatase (unknown origin)


Bioorg Med Chem Lett 19: 2158-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.118
BindingDB Entry DOI: 10.7270/Q28G8KKM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50277823
PNG
(4'-Amino-4''-methoxy-6'-methylsulfanyl-[1,1';2',1'...)
Show SMILES COc1ccc(cc1)-c1c(C#N)c(N)c(C#N)c(SC)c1-c1ccccc1
Show InChI InChI=1S/C22H17N3OS/c1-26-16-10-8-15(9-11-16)19-17(12-23)21(25)18(13-24)22(27-2)20(19)14-6-4-3-5-7-14/h3-11H,25H2,1-2H3
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n/an/a 8.60E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Bioorg Med Chem Lett 19: 2158-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.118
BindingDB Entry DOI: 10.7270/Q28G8KKM
More data for this
Ligand-Target Pair