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Compile Data Set for Download or QSAR

Found 74 hits from Chugai Pharma USA, LLC   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176155
PNG
(CHEMBL201995 | N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-h...)
Show SMILES CCCCC(=O)Nc1onc(C(C)C)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H22F6N2O3/c1-4-5-6-14(29)27-17-15(16(11(2)3)28-31-17)12-7-9-13(10-8-12)18(30,19(21,22)23)20(24,25)26/h7-11,30H,4-6H2,1-3H3,(H,27,29)
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n/an/a 140n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176176
PNG
(2-(4-(5-amino-3-(pyridin-4-yl)isoxazol-4-yl)phenyl...)
Show SMILES Nc1onc(c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)-c1ccncc1
Show InChI InChI=1S/C17H11F6N3O2/c18-16(19,20)15(27,17(21,22)23)11-3-1-9(2-4-11)12-13(26-28-14(12)24)10-5-7-25-8-6-10/h1-8,27H,24H2
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n/an/a 190n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176185
PNG
(2-ethyl-N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxyp...)
Show SMILES CCCCC(CC)C(=O)Nc1onc(C(C)C)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H28F6N2O3/c1-5-7-8-14(6-2)19(32)30-20-17(18(13(3)4)31-34-20)15-9-11-16(12-10-15)21(33,22(24,25)26)23(27,28)29/h9-14,33H,5-8H2,1-4H3,(H,30,32)
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n/an/a 200n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176218
PNG
(CHEMBL202467 | N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-h...)
Show SMILES CC(C)C(=O)Nc1onc(c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)-c1ccncc1
Show InChI InChI=1S/C21H17F6N3O3/c1-11(2)17(31)29-18-15(16(30-33-18)13-7-9-28-10-8-13)12-3-5-14(6-4-12)19(32,20(22,23)24)21(25,26)27/h3-11,32H,1-2H3,(H,29,31)
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n/an/a 250n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176154
PNG
((E)-3-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropa...)
Show SMILES Cc1onc(\C=C\C#N)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H10F6N2O2/c1-9-13(12(24-26-9)3-2-8-23)10-4-6-11(7-5-10)14(25,15(17,18)19)16(20,21)22/h2-7,25H,1H3/b3-2+
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n/an/a 290n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176211
PNG
(CHEMBL202019 | N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-h...)
Show SMILES CC(C)c1noc(NC(=O)c2ccncc2)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H17F6N3O3/c1-11(2)16-15(18(33-30-16)29-17(31)13-7-9-28-10-8-13)12-3-5-14(6-4-12)19(32,20(22,23)24)21(25,26)27/h3-11,32H,1-2H3,(H,29,31)
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n/an/a 340n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176147
PNG
(1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)...)
Show SMILES CC(C)CONc1cnc(C(C)C)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H23F6N3O2/c1-11(2)10-30-27-15-9-26-16(12(3)4)28(15)14-7-5-13(6-8-14)17(29,18(20,21)22)19(23,24)25/h5-9,11-12,27,29H,10H2,1-4H3
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n/an/a 350n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176194
PNG
(4-cyano-N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxyp...)
Show SMILES CC(C)c1noc(NC(=O)c2ccc(cc2)C#N)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H17F6N3O3/c1-12(2)18-17(20(35-32-18)31-19(33)15-5-3-13(11-30)4-6-15)14-7-9-16(10-8-14)21(34,22(24,25)26)23(27,28)29/h3-10,12,34H,1-2H3,(H,31,33)
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n/an/a 390n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176153
PNG
(CHEMBL383009 | N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-h...)
Show SMILES Cc1onc(NC(=O)c2ccncc2)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H13F6N3O3/c1-10-14(15(28-31-10)27-16(29)12-6-8-26-9-7-12)11-2-4-13(5-3-11)17(30,18(20,21)22)19(23,24)25/h2-9,30H,1H3,(H,27,28,29)
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n/an/a 390n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176210
PNG
(2-(4-(3,5-dimethylisoxazol-4-yl)phenyl)-1,1,1,3,3,...)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H11F6NO2/c1-7-11(8(2)23-21-7)9-3-5-10(6-4-9)12(22,13(15,16)17)14(18,19)20/h3-6,22H,1-2H3
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n/an/a 410n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176182
PNG
(CHEMBL201996 | N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-h...)
Show SMILES CCC(C(=O)Nc1onc(C(C)C)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C25H24F6N2O3/c1-4-18(15-8-6-5-7-9-15)21(34)32-22-19(20(14(2)3)33-36-22)16-10-12-17(13-11-16)23(35,24(26,27)28)25(29,30)31/h5-14,18,35H,4H2,1-3H3,(H,32,34)
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n/an/a 420n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176219
PNG
(2-(4-(5-amino-3-isopropylisoxazol-4-yl)phenyl)-1,1...)
Show SMILES CC(C)c1noc(N)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H14F6N2O2/c1-7(2)11-10(12(22)25-23-11)8-3-5-9(6-4-8)13(24,14(16,17)18)15(19,20)21/h3-7,24H,22H2,1-2H3
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n/an/a 460n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176173
PNG
(2-{4-[5-amino-3-(ethoxymethyl)-1,2-oxazol-4-yl]phe...)
Show SMILES CCOCc1noc(N)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H14F6N2O3/c1-2-25-7-10-11(12(22)26-23-10)8-3-5-9(6-4-8)13(24,14(16,17)18)15(19,20)21/h3-6,24H,2,7,22H2,1H3
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n/an/a 630n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176156
PNG
(3-(5-amino-4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxyp...)
Show SMILES Nc1onc(CCCO)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H14F6N2O3/c16-14(17,18)13(25,15(19,20)21)9-5-3-8(4-6-9)11-10(2-1-7-24)23-26-12(11)22/h3-6,24-25H,1-2,7,22H2
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n/an/a 650n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176152
PNG
(2-[4-(5-amino-3-butyl-1,2-oxazol-4-yl)phenyl]-1,1,...)
Show SMILES CCCCc1noc(N)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H16F6N2O2/c1-2-3-4-11-12(13(23)26-24-11)9-5-7-10(8-6-9)14(25,15(17,18)19)16(20,21)22/h5-8,25H,2-4,23H2,1H3
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n/an/a 670n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176180
PNG
(2-(4-(5-amino-3-ethylisoxazol-4-yl)phenyl)-1,1,1,3...)
Show SMILES CCc1noc(N)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H12F6N2O2/c1-2-9-10(11(21)24-22-9)7-3-5-8(6-4-7)12(23,13(15,16)17)14(18,19)20/h3-6,23H,2,21H2,1H3
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n/an/a 680n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176203
PNG
(CHEMBL383490 | N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-h...)
Show SMILES CC(C)C(=O)Nc1onc(c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C22H18F6N2O3/c1-12(2)18(31)29-19-16(17(30-33-19)14-6-4-3-5-7-14)13-8-10-15(11-9-13)20(32,21(23,24)25)22(26,27)28/h3-12,32H,1-2H3,(H,29,31)
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n/an/a 730n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176183
PNG
(1-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-...)
Show SMILES CCCC(=O)c1noc(C)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H15F6NO3/c1-3-4-12(25)14-13(9(2)27-24-14)10-5-7-11(8-6-10)15(26,16(18,19)20)17(21,22)23/h5-8,26H,3-4H2,1-2H3
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n/an/a 930n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176163
PNG
(CHEMBL382503 | ethyl 4-(4-(1,1,1,3,3,3-hexafluoro-...)
Show SMILES CCOC(=O)c1noc(C)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H13F6NO4/c1-3-26-13(24)12-11(8(2)27-23-12)9-4-6-10(7-5-9)14(25,15(17,18)19)16(20,21)22/h4-7,25H,3H2,1-2H3
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n/an/a 960n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176208
PNG
(CHEMBL380764 | N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-h...)
Show SMILES CC(C)C(=O)Nc1noc(C)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H16F6N2O3/c1-8(2)14(26)24-13-12(9(3)28-25-13)10-4-6-11(7-5-10)15(27,16(18,19)20)17(21,22)23/h4-8,27H,1-3H3,(H,24,25,26)
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n/an/a 990n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176202
PNG
((E)-2-(4-(5-amino-3-(but-2-enyl)isoxazol-4-yl)phen...)
Show SMILES C\C=C\Cc1noc(N)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H14F6N2O2/c1-2-3-4-11-12(13(23)26-24-11)9-5-7-10(8-6-9)14(25,15(17,18)19)16(20,21)22/h2-3,5-8,25H,4,23H2,1H3/b3-2+
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n/an/a 1.13E+3n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176174
PNG
(3-(5-amino-4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxyp...)
Show SMILES Nc1onc(CCC(O)=O)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H12F6N2O4/c16-14(17,18)13(26,15(19,20)21)8-3-1-7(2-4-8)11-9(5-6-10(24)25)23-27-12(11)22/h1-4,26H,5-6,22H2,(H,24,25)
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n/an/a 1.16E+3n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176157
PNG
(4-(5-amino-4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxyp...)
Show SMILES Nc1onc(c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)-c1ccc(O)cc1
Show InChI InChI=1S/C18H12F6N2O3/c19-17(20,21)16(28,18(22,23)24)11-5-1-9(2-6-11)13-14(26-29-15(13)25)10-3-7-12(27)8-4-10/h1-8,27-28H,25H2
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n/an/a 1.17E+3n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176181
PNG
(CHEMBL383096 | N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-h...)
Show SMILES CCCCCC(=O)Nc1noc(C)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H20F6N2O3/c1-3-4-5-6-14(28)26-16-15(11(2)30-27-16)12-7-9-13(10-8-12)17(29,18(20,21)22)19(23,24)25/h7-10,29H,3-6H2,1-2H3,(H,26,27,28)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176197
PNG
(2-(3-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan...)
Show SMILES Cc1onc(NC(=O)NCC(O)=O)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H13F6N3O5/c1-7-11(12(25-30-7)24-13(28)23-6-10(26)27)8-2-4-9(5-3-8)14(29,15(17,18)19)16(20,21)22/h2-5,29H,6H2,1H3,(H,26,27)(H2,23,24,25,28)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176217
PNG
(1-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-...)
Show SMILES Cc1onc(NC(=O)Nc2ccccc2)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H15F6N3O3/c1-11-15(16(29-32-11)28-17(30)27-14-5-3-2-4-6-14)12-7-9-13(10-8-12)18(31,19(21,22)23)20(24,25)26/h2-10,31H,1H3,(H2,27,28,29,30)
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n/an/a 1.48E+3n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176190
PNG
(2-(4-(5-amino-3-(furan-3-yl)isoxazol-4-yl)phenyl)-...)
Show SMILES Nc1onc(-c2ccoc2)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H10F6N2O3/c17-15(18,19)14(25,16(20,21)22)10-3-1-8(2-4-10)11-12(24-27-13(11)23)9-5-6-26-7-9/h1-7,25H,23H2
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n/an/a 1.78E+3n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176165
PNG
(CHEMBL382813 | N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-h...)
Show SMILES CC(=O)Nc1noc(C)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H12F6N2O3/c1-7-11(12(23-26-7)22-8(2)24)9-3-5-10(6-4-9)13(25,14(16,17)18)15(19,20)21/h3-6,25H,1-2H3,(H,22,23,24)
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n/an/a 1.99E+3n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176192
PNG
(2-(4-(5-amino-3-phenylisoxazol-4-yl)phenyl)-1,1,1,...)
Show SMILES Nc1onc(c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C18H12F6N2O2/c19-17(20,21)16(27,18(22,23)24)12-8-6-10(7-9-12)13-14(26-28-15(13)25)11-4-2-1-3-5-11/h1-9,27H,25H2
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n/an/a 2.54E+3n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176158
PNG
(CHEMBL201397 | N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-h...)
Show SMILES Cc1onc(NC(=O)CCc2ccccc2)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H18F6N2O3/c1-13-18(19(30-33-13)29-17(31)12-7-14-5-3-2-4-6-14)15-8-10-16(11-9-15)20(32,21(23,24)25)22(26,27)28/h2-6,8-11,32H,7,12H2,1H3,(H,29,30,31)
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n/an/a 2.55E+3n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176216
PNG
(2-(4-(5-amino-3-(4-methoxyphenyl)isoxazol-4-yl)phe...)
Show SMILES COc1ccc(cc1)-c1noc(N)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H14F6N2O3/c1-29-13-8-4-11(5-9-13)15-14(16(26)30-27-15)10-2-6-12(7-3-10)17(28,18(20,21)22)19(23,24)25/h2-9,28H,26H2,1H3
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n/an/a 2.77E+3n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176206
PNG
(1-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-...)
Show SMILES Cc1onc(NC(=O)NCCc2ccccc2)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H19F6N3O3/c1-13-17(15-7-9-16(10-8-15)20(33,21(23,24)25)22(26,27)28)18(31-34-13)30-19(32)29-12-11-14-5-3-2-4-6-14/h2-10,33H,11-12H2,1H3,(H2,29,30,31,32)
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n/an/a 2.97E+3n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176160
PNG
((E)-ethyl 3-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydrox...)
Show SMILES CCOC(=O)\C=C\c1noc(C)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H15F6NO4/c1-3-28-14(26)9-8-13-15(10(2)29-25-13)11-4-6-12(7-5-11)16(27,17(19,20)21)18(22,23)24/h4-9,27H,3H2,1-2H3/b9-8+
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n/an/a 3.16E+3n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176215
PNG
(2-(4-(5-amino-3-(trifluoromethyl)isoxazol-4-yl)phe...)
Show SMILES Nc1onc(c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C13H7F9N2O2/c14-11(15,16)8-7(9(23)26-24-8)5-1-3-6(4-2-5)10(25,12(17,18)19)13(20,21)22/h1-4,25H,23H2
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n/an/a 3.33E+3n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176188
PNG
(CHEMBL202144 | ethyl 2-(3-(4-(4-(1,1,1,3,3,3-hexaf...)
Show SMILES CCOC(=O)CNC(=O)Nc1noc(C)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H17F6N3O5/c1-3-31-12(28)8-25-15(29)26-14-13(9(2)32-27-14)10-4-6-11(7-5-10)16(30,17(19,20)21)18(22,23)24/h4-7,30H,3,8H2,1-2H3,(H2,25,26,27,29)
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n/an/a 3.73E+3n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176184
PNG
(1-cyclohexyl-3-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hyd...)
Show SMILES Cc1onc(NC(=O)NC2CCCCC2)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H21F6N3O3/c1-11-15(16(29-32-11)28-17(30)27-14-5-3-2-4-6-14)12-7-9-13(10-8-12)18(31,19(21,22)23)20(24,25)26/h7-10,14,31H,2-6H2,1H3,(H2,27,28,29,30)
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n/an/a 4.98E+3n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176148
PNG
(2-(4-(5-amino-3-benzylisoxazol-4-yl)phenyl)-1,1,1,...)
Show SMILES Nc1onc(Cc2ccccc2)c1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H14F6N2O2/c20-18(21,22)17(28,19(23,24)25)13-8-6-12(7-9-13)15-14(27-29-16(15)26)10-11-4-2-1-3-5-11/h1-9,28H,10,26H2
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n/an/a 5.32E+3n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176204
PNG
((Z)-3-(1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropa...)
Show SMILES CC(C)c1ncc(\C=C/C#N)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H15F6N3O/c1-11(2)15-26-10-14(4-3-9-25)27(15)13-7-5-12(6-8-13)16(28,17(19,20)21)18(22,23)24/h3-8,10-11,28H,1-2H3/b4-3-
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n/an/a 2.00E+4n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176177
PNG
(CHEMBL377710 | ethyl 3-(1-(4-(1,1,1,3,3,3-hexafluo...)
Show SMILES CCOC(=O)C(C)Cc1cnc(C(C)C)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H24F6N2O3/c1-5-32-18(30)13(4)10-16-11-28-17(12(2)3)29(16)15-8-6-14(7-9-15)19(31,20(22,23)24)21(25,26)27/h6-9,11-13,31H,5,10H2,1-4H3
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n/an/a 3.70E+4n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176150
PNG
(CHEMBL201846 | methyl 3-(2-sec-butyl-1-(4-(1,1,1,3...)
Show SMILES CCC(C)c1ncc(CCC(=O)OC)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H22F6N2O3/c1-4-12(2)17-27-11-15(9-10-16(29)31-3)28(17)14-7-5-13(6-8-14)18(30,19(21,22)23)20(24,25)26/h5-8,11-12,30H,4,9-10H2,1-3H3
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n/an/a 4.10E+4n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176171
PNG
(1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)...)
Show SMILES CC(C)c1ncc(NOC(C)(C)C)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H23F6N3O2/c1-11(2)15-26-10-14(27-30-16(3,4)5)28(15)13-8-6-12(7-9-13)17(29,18(20,21)22)19(23,24)25/h6-11,27,29H,1-5H3
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n/an/a 4.40E+4n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176198
PNG
((E)-methyl 3-(1-(4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES COC(=O)\C=C\c1cnc(C(C)C)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H18F6N2O3/c1-11(2)16-26-10-14(8-9-15(28)30-3)27(16)13-6-4-12(5-7-13)17(29,18(20,21)22)19(23,24)25/h4-11,29H,1-3H3/b9-8+
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n/an/a 5.50E+4n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176201
PNG
(1-(2-sec-butyl-1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CCC(C)c1ncc(C(O)C(C)C)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H24F6N2O2/c1-5-12(4)17-27-10-15(16(29)11(2)3)28(17)14-8-6-13(7-9-14)18(30,19(21,22)23)20(24,25)26/h6-12,16,29-30H,5H2,1-4H3
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n/an/a 5.90E+4n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176189
PNG
(1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)...)
Show SMILES CONc1cnc(C(C)C)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H17F6N3O2/c1-9(2)13-23-8-12(24-27-3)25(13)11-6-4-10(5-7-11)14(26,15(17,18)19)16(20,21)22/h4-9,24,26H,1-3H3
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n/an/a 6.30E+4n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176149
PNG
(CHEMBL202161 | methyl 3-(1-(4-(1,1,1,3,3,3-hexaflu...)
Show SMILES COC(=O)CCc1cnc(C(C)C)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H20F6N2O3/c1-11(2)16-26-10-14(8-9-15(28)30-3)27(16)13-6-4-12(5-7-13)17(29,18(20,21)22)19(23,24)25/h4-7,10-11,29H,8-9H2,1-3H3
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n/an/a 6.50E+4n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176172
PNG
(1-(2-sec-butyl-1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CCCC(O)c1cnc(C(C)CC)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H24F6N2O2/c1-4-6-16(29)15-11-27-17(12(3)5-2)28(15)14-9-7-13(8-10-14)18(30,19(21,22)23)20(24,25)26/h7-12,16,29-30H,4-6H2,1-3H3
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n/an/a 7.40E+4n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176220
PNG
((E)-methyl 3-(2-sec-butyl-1-(4-(1,1,1,3,3,3-hexafl...)
Show SMILES CCC(C)c1ncc(\C=C\C(=O)OC)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H20F6N2O3/c1-4-12(2)17-27-11-15(9-10-16(29)31-3)28(17)14-7-5-13(6-8-14)18(30,19(21,22)23)20(24,25)26/h5-12,30H,4H2,1-3H3/b10-9+
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n/an/a 8.80E+4n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176175
PNG
(5-((1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2...)
Show SMILES CC(C)c1ncc(COCCCCC#N)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H23F6N3O2/c1-14(2)18-29-12-17(13-32-11-5-3-4-10-28)30(18)16-8-6-15(7-9-16)19(31,20(22,23)24)21(25,26)27/h6-9,12,14,31H,3-5,11,13H2,1-2H3
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n/an/a 1.07E+5n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176195
PNG
(1,1,1,3,3,3-hexafluoro-2-(4-(5-(hydroxymethyl)-2-(...)
Show SMILES OCc1cnc(-c2ccncc2)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H13F6N3O2/c19-17(20,21)16(29,18(22,23)24)12-1-3-13(4-2-12)27-14(10-28)9-26-15(27)11-5-7-25-8-6-11/h1-9,28-29H,10H2
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n/an/a 1.14E+5n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50176193
PNG
(2-(4-(5-((4-(1H-tetrazol-5-yl)butoxy)methyl)-2-iso...)
Show SMILES CC(C)c1ncc(COCCCCc2nnn[nH]2)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H24F6N6O2/c1-13(2)18-28-11-16(12-35-10-4-3-5-17-29-31-32-30-17)33(18)15-8-6-14(7-9-15)19(34,20(22,23)24)21(25,26)27/h6-9,11,13,34H,3-5,10,12H2,1-2H3,(H,29,30,31,32)
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n/an/a 1.16E+5n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair
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