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Compile Data Set for Download or QSAR

Found 116 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)
BDBM50183286
PNG
(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,...)
Show SMILES CC(C)CN(CC(C)C)C(=O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H23F6NO2/c1-11(2)9-25(10-12(3)4)15(26)13-5-7-14(8-6-13)16(27,17(19,20)21)18(22,23)24/h5-8,11-12,27H,9-10H2,1-4H3
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n/an/a 0.0700n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50183304
PNG
(CHEMBL380487 | N-(2-cyanoethyl)-N-ethyl-4-(1,1,1,3...)
Show SMILES CCN(CCC#N)C(=O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H14F6N2O2/c1-2-23(9-3-8-22)12(24)10-4-6-11(7-5-10)13(25,14(16,17)18)15(19,20)21/h4-7,25H,2-3,9H2,1H3
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n/an/a 0.290n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50183290
PNG
(CHEMBL205506 | pyrrolidin-1-yl-[4-(2,2,2-trifluoro...)
Show SMILES OC(c1ccc(cc1)C(=O)N1CCCC1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H13F6NO2/c15-13(16,17)12(23,14(18,19)20)10-5-3-9(4-6-10)11(22)21-7-1-2-8-21/h3-6,23H,1-2,7-8H2
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n/an/a 0.850n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50183294
PNG
(CHEMBL204287 | piperidin-1-yl-[4-(2,2,2-trifluoro-...)
Show SMILES OC(c1ccc(cc1)C(=O)N1CCCCC1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H15F6NO2/c16-14(17,18)13(24,15(19,20)21)11-6-4-10(5-7-11)12(23)22-8-2-1-3-9-22/h4-7,24H,1-3,8-9H2
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n/an/a 0.980n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50183287
PNG
(CHEMBL202688 | N-benzyl-N-methyl-4-(2,2,2-trifluor...)
Show SMILES CN(Cc1ccccc1)C(=O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H15F6NO2/c1-25(11-12-5-3-2-4-6-12)15(26)13-7-9-14(10-8-13)16(27,17(19,20)21)18(22,23)24/h2-10,27H,11H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50183328
PNG
(CHEMBL206852 | morpholin-4-yl-[4-(2,2,2-trifluoro-...)
Show SMILES OC(c1ccc(cc1)C(=O)N1CCOCC1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H13F6NO3/c15-13(16,17)12(23,14(18,19)20)10-3-1-9(2-4-10)11(22)21-5-7-24-8-6-21/h1-4,23H,5-8H2
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n/an/a 1.14n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50183298
PNG
(CHEMBL202689 | N-methoxy-N-methyl-4-(2,2,2-trifluo...)
Show SMILES CON(C)C(=O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C12H11F6NO3/c1-19(22-2)9(20)7-3-5-8(6-4-7)10(21,11(13,14)15)12(16,17)18/h3-6,21H,1-2H3
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n/an/a 1.45n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50183316
PNG
(CHEMBL202746 | N-methyl-N-phenethyl-4-(2,2,2-trifl...)
Show SMILES CN(CCc1ccccc1)C(=O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H17F6NO2/c1-26(12-11-13-5-3-2-4-6-13)16(27)14-7-9-15(10-8-14)17(28,18(20,21)22)19(23,24)25/h2-10,28H,11-12H2,1H3
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n/an/a 1.99n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50183313
PNG
(CHEMBL203835 | N-phenethyl-4-(2,2,2-trifluoro-1-hy...)
Show SMILES OC(c1ccc(cc1)C(=O)NCCc1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H15F6NO2/c19-17(20,21)16(27,18(22,23)24)14-8-6-13(7-9-14)15(26)25-11-10-12-4-2-1-3-5-12/h1-9,27H,10-11H2,(H,25,26)
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n/an/a 2.65n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50190401
PNG
(CHEMBL211177 | tert-butyl-(3S)-3-{[(5R)-5-(2,2,2-t...)
Show SMILES C[C@@H](CC(=O)OC(C)(C)C)NC(=O)C1=NO[C@H](C1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H20F6N2O5/c1-7(5-10(24)27-12(2,3)4)22-11(25)8-6-9(28-23-8)13(26,14(16,17)18)15(19,20)21/h7,9,26H,5-6H2,1-4H3,(H,22,25)/t7-,9+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of malonyl-coenzyme A decarboxylase


J Med Chem 49: 4055-8 (2006)


Article DOI: 10.1021/jm0605029
BindingDB Entry DOI: 10.7270/Q2Q81CQ7
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50190407
PNG
((3S)-3-methylpentan-3-yl 3-(5-(1,1,1,3,3,3-hexaflu...)
Show SMILES CCC(C)(CC)OC(=O)C[C@H](C)NC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H24F6N2O5/c1-5-14(4,6-2)29-12(26)7-9(3)24-13(27)10-8-11(30-25-10)15(28,16(18,19)20)17(21,22)23/h9,11,28H,5-8H2,1-4H3,(H,24,27)/t9-,11?/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of malonyl-coenzyme A decarboxylase


J Med Chem 49: 4055-8 (2006)


Article DOI: 10.1021/jm0605029
BindingDB Entry DOI: 10.7270/Q2Q81CQ7
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50190399
PNG
(3-{[5-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl...)
Show SMILES CCC(C)(CC)OC(=O)CCNC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H22F6N2O5/c1-4-13(3,5-2)28-11(25)6-7-23-12(26)9-8-10(29-24-9)14(27,15(17,18)19)16(20,21)22/h10,27H,4-8H2,1-3H3,(H,23,26)
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n/an/a 7n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of malonyl-coenzyme A decarboxylase


J Med Chem 49: 4055-8 (2006)


Article DOI: 10.1021/jm0605029
BindingDB Entry DOI: 10.7270/Q2Q81CQ7
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50190397
PNG
(CHEMBL208825 | tert-butyl-(3S)-3-{[5-(2,2,2-triflu...)
Show SMILES C[C@@H](CC(=O)OC(C)(C)C)NC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H20F6N2O5/c1-7(5-10(24)27-12(2,3)4)22-11(25)8-6-9(28-23-8)13(26,14(16,17)18)15(19,20)21/h7,9,26H,5-6H2,1-4H3,(H,22,25)/t7-,9?/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of malonyl-coenzyme A decarboxylase


J Med Chem 49: 4055-8 (2006)


Article DOI: 10.1021/jm0605029
BindingDB Entry DOI: 10.7270/Q2Q81CQ7
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50183307
PNG
(5-(N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-...)
Show SMILES CC(C)C(=O)N(CCCCC(O)=O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H21F6NO4/c1-11(2)15(28)25(10-4-3-5-14(26)27)13-8-6-12(7-9-13)16(29,17(19,20)21)18(22,23)24/h6-9,11,29H,3-5,10H2,1-2H3,(H,26,27)
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n/an/a 8n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50190410
PNG
(CHEMBL378459 | tert-butyl-(3R)-3-{[(5R)-5-(2,2,2-t...)
Show SMILES C[C@H](CC(=O)OC(C)(C)C)NC(=O)C1=NO[C@H](C1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H20F6N2O5/c1-7(5-10(24)27-12(2,3)4)22-11(25)8-6-9(28-23-8)13(26,14(16,17)18)15(19,20)21/h7,9,26H,5-6H2,1-4H3,(H,22,25)/t7-,9-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of malonyl-coenzyme A decarboxylase


J Med Chem 49: 4055-8 (2006)


Article DOI: 10.1021/jm0605029
BindingDB Entry DOI: 10.7270/Q2Q81CQ7
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50212235
PNG
(CHEMBL400455 | N-(4-(1H-tetrazol-5-yl)butyl)-N-(4-...)
Show SMILES CC(C)C(=O)N(CCCCc1nnn[nH]1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H21F6N5O2/c1-11(2)15(30)29(10-4-3-5-14-25-27-28-26-14)13-8-6-12(7-9-13)16(31,17(19,20)21)18(22,23)24/h6-9,11,31H,3-5,10H2,1-2H3,(H,25,26,27,28)
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n/an/a 8n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50190408
PNG
(3-{[5-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl...)
Show SMILES CC(C)CC(C)(CC(C)C)OC(=O)CCNC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H30F6N2O5/c1-11(2)9-17(5,10-12(3)4)32-15(29)6-7-27-16(30)13-8-14(33-28-13)18(31,19(21,22)23)20(24,25)26/h11-12,14,31H,6-10H2,1-5H3,(H,27,30)
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n/an/a 9n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of malonyl-coenzyme A decarboxylase


J Med Chem 49: 4055-8 (2006)


Article DOI: 10.1021/jm0605029
BindingDB Entry DOI: 10.7270/Q2Q81CQ7
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50190413
PNG
(CHEMBL379321 | tert-butyl-(3R)-3-{[5-(2,2,2-triflu...)
Show SMILES C[C@H](CC(=O)OC(C)(C)C)NC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H20F6N2O5/c1-7(5-10(24)27-12(2,3)4)22-11(25)8-6-9(28-23-8)13(26,14(16,17)18)15(19,20)21/h7,9,26H,5-6H2,1-4H3,(H,22,25)/t7-,9?/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of malonyl-coenzyme A decarboxylase


J Med Chem 49: 4055-8 (2006)


Article DOI: 10.1021/jm0605029
BindingDB Entry DOI: 10.7270/Q2Q81CQ7
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50183296
PNG
(5-{(morpholine-4-carbonyl)-[4-(2,2,2-trifluoro-1-h...)
Show SMILES OC(=O)CCCCN(C(=O)N1CCOCC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H22F6N2O5/c20-18(21,22)17(31,19(23,24)25)13-4-6-14(7-5-13)27(8-2-1-3-15(28)29)16(30)26-9-11-32-12-10-26/h4-7,31H,1-3,8-12H2,(H,28,29)
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n/an/a 14n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50190415
PNG
(5-methyl-(3S)-3-{[5-(2,2,2-trifluoro-1-hydroxy-1-t...)
Show SMILES CC(C)C[C@@H](CC(=O)OC(C)(C)C)NC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H26F6N2O5/c1-9(2)6-10(7-13(27)30-15(3,4)5)25-14(28)11-8-12(31-26-11)16(29,17(19,20)21)18(22,23)24/h9-10,12,29H,6-8H2,1-5H3,(H,25,28)/t10-,12?/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of malonyl-coenzyme A decarboxylase


J Med Chem 49: 4055-8 (2006)


Article DOI: 10.1021/jm0605029
BindingDB Entry DOI: 10.7270/Q2Q81CQ7
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50190416
PNG
(CHEMBL378896 | N-(3-(diisopropylamino)-3-oxopropyl...)
Show SMILES CC(C)N(C(C)C)C(=O)CCNC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H23F6N3O4/c1-8(2)25(9(3)4)12(26)5-6-23-13(27)10-7-11(29-24-10)14(28,15(17,18)19)16(20,21)22/h8-9,11,28H,5-7H2,1-4H3,(H,23,27)
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n/an/a 17n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of malonyl-coenzyme A decarboxylase


J Med Chem 49: 4055-8 (2006)


Article DOI: 10.1021/jm0605029
BindingDB Entry DOI: 10.7270/Q2Q81CQ7
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50183302
PNG
(CHEMBL203790 | N-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CCCCCN(C(=O)N1CCOCC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H24F6N2O3/c1-2-3-4-9-27(16(28)26-10-12-30-13-11-26)15-7-5-14(6-8-15)17(29,18(20,21)22)19(23,24)25/h5-8,29H,2-4,9-13H2,1H3
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n/an/a 19n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50183299
PNG
(CHEMBL206438 | N-butyl-N-(4-(1,1,1,3,3,3-hexafluor...)
Show SMILES CCCCN(C(=O)C(C)C)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H21F6NO2/c1-4-5-10-24(14(25)11(2)3)13-8-6-12(7-9-13)15(26,16(18,19)20)17(21,22)23/h6-9,11,26H,4-5,10H2,1-3H3
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n/an/a 20n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50183327
PNG
(CHEMBL382695 | N-(4-Cyanobutyl)-N-[4-(2,2,2-triflu...)
Show SMILES CC(C)C(=O)N(CCCCC#N)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H20F6N2O2/c1-12(2)15(27)26(11-5-3-4-10-25)14-8-6-13(7-9-14)16(28,17(19,20)21)18(22,23)24/h6-9,12,28H,3-5,11H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50190411
PNG
(CHEMBL213556 | tert-butyl-3-{[5-(2,2,2-trifluoro-1...)
Show SMILES CC(CC(=O)OC(C)(C)C)NC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H20F6N2O5/c1-7(5-10(24)27-12(2,3)4)22-11(25)8-6-9(28-23-8)13(26,14(16,17)18)15(19,20)21/h7,9,26H,5-6H2,1-4H3,(H,22,25)
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n/an/a 23n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of malonyl-coenzyme A decarboxylase


J Med Chem 49: 4055-8 (2006)


Article DOI: 10.1021/jm0605029
BindingDB Entry DOI: 10.7270/Q2Q81CQ7
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50183301
PNG
(5-{isobutyryl-[4-(2,2,2-trifluoro-1-hydroxy-1-trif...)
Show SMILES COC(=O)CCCCN(C(=O)C(C)C)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H23F6NO4/c1-12(2)16(28)26(11-5-4-6-15(27)30-3)14-9-7-13(8-10-14)17(29,18(20,21)22)19(23,24)25/h7-10,12,29H,4-6,11H2,1-3H3
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n/an/a 26n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50190403
PNG
(5-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-eth...)
Show SMILES CC(C)CCCC(C)NC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H22F6N2O3/c1-8(2)5-4-6-9(3)22-12(24)10-7-11(26-23-10)13(25,14(16,17)18)15(19,20)21/h8-9,11,25H,4-7H2,1-3H3,(H,22,24)
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n/an/a 28n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of malonyl-coenzyme A decarboxylase


J Med Chem 49: 4055-8 (2006)


Article DOI: 10.1021/jm0605029
BindingDB Entry DOI: 10.7270/Q2Q81CQ7
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50183297
PNG
(CHEMBL381996 | N-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CCCN(C(=O)C(C)C)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H19F6NO2/c1-4-9-23(13(24)10(2)3)12-7-5-11(6-8-12)14(25,15(17,18)19)16(20,21)22/h5-8,10,25H,4,9H2,1-3H3
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n/an/a 28n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50190406
PNG
(5-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-eth...)
Show SMILES CC(C)(C)OCCCNC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H20F6N2O4/c1-11(2,3)25-6-4-5-21-10(23)8-7-9(26-22-8)12(24,13(15,16)17)14(18,19)20/h9,24H,4-7H2,1-3H3,(H,21,23)
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n/an/a 28n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of malonyl-coenzyme A decarboxylase


J Med Chem 49: 4055-8 (2006)


Article DOI: 10.1021/jm0605029
BindingDB Entry DOI: 10.7270/Q2Q81CQ7
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50190404
PNG
(5-methyl-3-{[5-(2,2,2-trifluoro-1-hydroxy-1-triflu...)
Show SMILES CC(C)CC(CC(=O)OC(C)(C)C)NC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H26F6N2O5/c1-9(2)6-10(7-13(27)30-15(3,4)5)25-14(28)11-8-12(31-26-11)16(29,17(19,20)21)18(22,23)24/h9-10,12,29H,6-8H2,1-5H3,(H,25,28)
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n/an/a 30n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of malonyl-coenzyme A decarboxylase


J Med Chem 49: 4055-8 (2006)


Article DOI: 10.1021/jm0605029
BindingDB Entry DOI: 10.7270/Q2Q81CQ7
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50183279
PNG
(CHEMBL202905 | N-butyl-N-(4-(1,1,1,3,3,3-hexafluor...)
Show SMILES CCCCN(C(=O)N1CCOCC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H22F6N2O3/c1-2-3-8-26(15(27)25-9-11-29-12-10-25)14-6-4-13(5-7-14)16(28,17(19,20)21)18(22,23)24/h4-7,28H,2-3,8-12H2,1H3
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n/an/a 30n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50183288
PNG
(CHEMBL381564 | N-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CCCCCCN(C(=O)N1CCOCC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H26F6N2O3/c1-2-3-4-5-10-28(17(29)27-11-13-31-14-12-27)16-8-6-15(7-9-16)18(30,19(21,22)23)20(24,25)26/h6-9,30H,2-5,10-14H2,1H3
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n/an/a 31n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50190418
PNG
(3-{[5-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl...)
Show SMILES CC(C)(C)OC(=O)CCNC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H18F6N2O5/c1-11(2,3)26-9(23)4-5-21-10(24)7-6-8(27-22-7)12(25,13(15,16)17)14(18,19)20/h8,25H,4-6H2,1-3H3,(H,21,24)
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n/an/a 31n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of malonyl-coenzyme A decarboxylase


J Med Chem 49: 4055-8 (2006)


Article DOI: 10.1021/jm0605029
BindingDB Entry DOI: 10.7270/Q2Q81CQ7
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50183292
PNG
(CHEMBL205932 | N-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CCCN(C(=O)N1CCOCC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H20F6N2O3/c1-2-7-25(14(26)24-8-10-28-11-9-24)13-5-3-12(4-6-13)15(27,16(18,19)20)17(21,22)23/h3-6,27H,2,7-11H2,1H3
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n/an/a 34n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50183323
PNG
(CHEMBL383498 | {isobutyryl-[4-(2,2,2-trifluoro-1-h...)
Show SMILES COC(=O)CN(C(=O)C(C)C)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H17F6NO4/c1-9(2)13(25)23(8-12(24)27-3)11-6-4-10(5-7-11)14(26,15(17,18)19)16(20,21)22/h4-7,9,26H,8H2,1-3H3
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n/an/a 34n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50183321
PNG
(4-Cyano-N-ethyl-N-[4-(2,2,2-trifluoro-1-hydroxy-1-...)
Show SMILES CCN(C(=O)c1ccc(cc1)C#N)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H14F6N2O2/c1-2-27(16(28)13-5-3-12(11-26)4-6-13)15-9-7-14(8-10-15)17(29,18(20,21)22)19(23,24)25/h3-10,29H,2H2,1H3
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n/an/a 37n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50190405
PNG
(2,4,6-trimethylheptan-4-yl 3-(5-(1,1,1,3,3,3-hexaf...)
Show SMILES CC(C)CC(C)(CC(C)C)OC(=O)CC(C)NC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H32F6N2O5/c1-11(2)9-18(6,10-12(3)4)33-16(30)7-13(5)28-17(31)14-8-15(34-29-14)19(32,20(22,23)24)21(25,26)27/h11-13,15,32H,7-10H2,1-6H3,(H,28,31)
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n/an/a 37n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of malonyl-coenzyme A decarboxylase


J Med Chem 49: 4055-8 (2006)


Article DOI: 10.1021/jm0605029
BindingDB Entry DOI: 10.7270/Q2Q81CQ7
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50183320
PNG
(CHEMBL380746 | N-(3-cyanopropyl)-N-(4-(1,1,1,3,3,3...)
Show SMILES OC(c1ccc(cc1)N(CCCC#N)C(=O)N1CCOCC1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H19F6N3O3/c19-17(20,21)16(29,18(22,23)24)13-3-5-14(6-4-13)27(8-2-1-7-25)15(28)26-9-11-30-12-10-26/h3-6,29H,1-2,8-12H2
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n/an/a 40n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50183308
PNG
(CHEMBL383478 | N-ethyl-N-(4-(1,1,1,3,3,3-hexafluor...)
Show SMILES CCN(C(=O)C(C)C)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H17F6NO2/c1-4-22(12(23)9(2)3)11-7-5-10(6-8-11)13(24,14(16,17)18)15(19,20)21/h5-9,24H,4H2,1-3H3
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n/an/a 41n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50183332
PNG
(5-{(morpholine-4-carbonyl)-[4-(2,2,2-trifluoro-1-h...)
Show SMILES COC(=O)CCCCN(C(=O)N1CCOCC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H24F6N2O5/c1-32-16(29)4-2-3-9-28(17(30)27-10-12-33-13-11-27)15-7-5-14(6-8-15)18(31,19(21,22)23)20(24,25)26/h5-8,31H,2-4,9-13H2,1H3
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n/an/a 42n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50183291
PNG
(CHEMBL205117 | N-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES OC(c1ccc(cc1)N(CCc1ccccc1)C(=O)N1CCOCC1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H22F6N2O3/c23-21(24,25)20(32,22(26,27)28)17-6-8-18(9-7-17)30(11-10-16-4-2-1-3-5-16)19(31)29-12-14-33-15-13-29/h1-9,32H,10-15H2
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n/an/a 43n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50190392
PNG
(5-methyl-(3R)-3-{[5-(2,2,2-trifluoro-1-hydroxy-1-t...)
Show SMILES CC(C)C[C@H](CC(=O)OC(C)(C)C)NC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H26F6N2O5/c1-9(2)6-10(7-13(27)30-15(3,4)5)25-14(28)11-8-12(31-26-11)16(29,17(19,20)21)18(22,23)24/h9-10,12,29H,6-8H2,1-5H3,(H,25,28)/t10-,12?/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of malonyl-coenzyme A decarboxylase


J Med Chem 49: 4055-8 (2006)


Article DOI: 10.1021/jm0605029
BindingDB Entry DOI: 10.7270/Q2Q81CQ7
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50183300
PNG
(1-ethyl-3,3-dimethyl-1-[4-(2,2,2-trifluoro-1-hydro...)
Show SMILES CCN(C(=O)N(C)C)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H16F6N2O2/c1-4-22(11(23)21(2)3)10-7-5-9(6-8-10)12(24,13(15,16)17)14(18,19)20/h5-8,24H,4H2,1-3H3
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n/an/a 59n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50183317
PNG
(1,3-diethyl-3-(4-hydroxybutyl)-1-[4-(2,2,2-trifluo...)
Show SMILES CCN(CCCCO)C(=O)N(CC)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H24F6N2O3/c1-3-25(11-5-6-12-27)15(28)26(4-2)14-9-7-13(8-10-14)16(29,17(19,20)21)18(22,23)24/h7-10,27,29H,3-6,11-12H2,1-2H3
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n/an/a 60n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50190396
PNG
(5-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-eth...)
Show SMILES CCCCCC(C)NC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H20F6N2O3/c1-3-4-5-6-8(2)21-11(23)9-7-10(25-22-9)12(24,13(15,16)17)14(18,19)20/h8,10,24H,3-7H2,1-2H3,(H,21,23)
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n/an/a 60n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of malonyl-coenzyme A decarboxylase


J Med Chem 49: 4055-8 (2006)


Article DOI: 10.1021/jm0605029
BindingDB Entry DOI: 10.7270/Q2Q81CQ7
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50202809
PNG
(CHEMBL247462 | N-(cyclopropylmethyl)-N-propyl-4-(2...)
Show SMILES CCCN(CC1CC1)C(=O)c1ccc(cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C16H18F3NO2/c1-2-9-20(10-11-3-4-11)15(22)13-7-5-12(6-8-13)14(21)16(17,18)19/h5-8,11H,2-4,9-10H2,1H3
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n/an/a 68n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MBP fused human MCD


Bioorg Med Chem Lett 17: 1127-30 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.023
BindingDB Entry DOI: 10.7270/Q2MP52XX
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50202821
PNG
(CHEMBL396148 | N,N-diisobutyl-4-(2,2,2-trifluoroac...)
Show SMILES CC(C)CN(CC(C)C)C(=O)c1ccc(cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C17H22F3NO2/c1-11(2)9-21(10-12(3)4)16(23)14-7-5-13(6-8-14)15(22)17(18,19)20/h5-8,11-12H,9-10H2,1-4H3
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n/an/a 73n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MBP fused human MCD


Bioorg Med Chem Lett 17: 1127-30 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.023
BindingDB Entry DOI: 10.7270/Q2MP52XX
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50183333
PNG
(CHEMBL205719 | N-heptyl-N-(4-(1,1,1,3,3,3-hexafluo...)
Show SMILES CCCCCCCN(C(=O)N1CCOCC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H28F6N2O3/c1-2-3-4-5-6-11-29(18(30)28-12-14-32-15-13-28)17-9-7-16(8-10-17)19(31,20(22,23)24)21(25,26)27/h7-10,31H,2-6,11-15H2,1H3
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n/an/a 73n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50183303
PNG
(CHEMBL205931 | N-ethyl-N-(4-(1,1,1,3,3,3-hexafluor...)
Show SMILES CCN(C(=O)N1CCOCC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H18F6N2O3/c1-2-24(13(25)23-7-9-27-10-8-23)12-5-3-11(4-6-12)14(26,15(17,18)19)16(20,21)22/h3-6,26H,2,7-10H2,1H3
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n/an/a 74n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50183306
PNG
(4-{(morpholine-4-carbonyl)-[4-(2,2,2-trifluoro-1-h...)
Show SMILES COC(=O)CCCN(C(=O)N1CCOCC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H22F6N2O5/c1-31-15(28)3-2-8-27(16(29)26-9-11-32-12-10-26)14-6-4-13(5-7-14)17(30,18(20,21)22)19(23,24)25/h4-7,30H,2-3,8-12H2,1H3
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n/an/a 75n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
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