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Compile Data Set for Download or QSAR

Found 27 hits from Chugai Pharma 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)
BDBM50186046
PNG
(CHEMBL210138 | N-(4-cyanobenzyl)-N-(5-(1,1,1,3,3,3...)
Show SMILES OC(c1cnc(s1)N(Cc1ccc(cc1)C#N)C(=O)c1ccncc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H12F6N4O2S/c21-19(22,23)18(32,20(24,25)26)15-10-29-17(33-15)30(16(31)14-5-7-28-8-6-14)11-13-3-1-12(9-27)2-4-13/h1-8,10,32H,11H2
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n/an/a 9n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50186054
PNG
(4-((3,5-dichloro-N-(5-(1,1,1,3,3,3-hexafluoro-2-hy...)
Show SMILES OC(=O)c1ccc(CN(C(=O)c2cc(Cl)cc(Cl)c2)c2ncc(s2)C(O)(C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H12Cl2F6N2O4S/c22-13-5-12(6-14(23)7-13)16(32)31(9-10-1-3-11(4-2-10)17(33)34)18-30-8-15(36-18)19(35,20(24,25)26)21(27,28)29/h1-8,35H,9H2,(H,33,34)
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n/an/a 11n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50186053
PNG
(CHEMBL385355 | N-(5-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CC(C)C(=O)N(Cc1ccncc1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H15F6N3O2S/c1-9(2)12(26)25(8-10-3-5-23-6-4-10)13-24-7-11(28-13)14(27,15(17,18)19)16(20,21)22/h3-7,9,27H,8H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50186052
PNG
(CHEMBL210190 | N-(4-cyanobenzyl)-N-(5-(1,1,1,3,3,3...)
Show SMILES CC(C)C(=O)N(Cc1ccc(cc1)C#N)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H15F6N3O2S/c1-10(2)14(28)27(9-12-5-3-11(7-25)4-6-12)15-26-8-13(30-15)16(29,17(19,20)21)18(22,23)24/h3-6,8,10,29H,9H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50186044
PNG
(CHEMBL211235 | N-(5-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES OC(c1cnc(s1)N(Cc1ccncc1)C(=O)c1ccncc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H12F6N4O2S/c19-17(20,21)16(30,18(22,23)24)13-9-27-15(31-13)28(10-11-1-5-25-6-2-11)14(29)12-3-7-26-8-4-12/h1-9,30H,10H2
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n/an/a 22n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50186047
PNG
(CHEMBL209430 | N-ethyl-N-(6-(1,1,1,3,3,3-hexafluor...)
Show SMILES CCN(C(=O)C(C)C)c1ccc(nc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H16F6N2O2/c1-4-22(11(23)8(2)3)9-5-6-10(21-7-9)12(24,13(15,16)17)14(18,19)20/h5-8,24H,4H2,1-3H3
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n/an/a 22n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50186056
PNG
(1-(2-cyanoethyl)-1-ethyl-3-(6-(1,1,1,3,3,3-hexaflu...)
Show SMILES CCN(CCC#N)C(=S)N(CC1CCOC1)c1ccc(nc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H22F6N4O2S/c1-2-28(8-3-7-26)16(32)29(11-13-6-9-31-12-13)14-4-5-15(27-10-14)17(30,18(20,21)22)19(23,24)25/h4-5,10,13,30H,2-3,6,8-9,11-12H2,1H3
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n/an/a 24n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50186049
PNG
(6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,...)
Show SMILES CC(C)CN(CC(C)C)C(=O)c1ccc(nc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H22F6N2O2/c1-10(2)8-25(9-11(3)4)14(26)12-5-6-13(24-7-12)15(27,16(18,19)20)17(21,22)23/h5-7,10-11,27H,8-9H2,1-4H3
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n/an/a 47n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50186068
PNG
(CHEMBL211767 | methyl 4-((N-(5-(1,1,1,3,3,3-hexafl...)
Show SMILES COC(=O)c1ccc(CN(C(=O)C(C)C)c2ncc(s2)C(O)(C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C19H18F6N2O4S/c1-10(2)14(28)27(9-11-4-6-12(7-5-11)15(29)31-3)16-26-8-13(32-16)17(30,18(20,21)22)19(23,24)25/h4-8,10,30H,9H2,1-3H3
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n/an/a 54n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50186065
PNG
(CHEMBL210925 | N-(6-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES OC(c1ccc(cn1)N(CC1CCOC1)C(=S)N1CCOCC1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H21F6N3O3S/c19-17(20,21)16(28,18(22,23)24)14-2-1-13(9-25-14)27(10-12-3-6-30-11-12)15(31)26-4-7-29-8-5-26/h1-2,9,12,28H,3-8,10-11H2
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n/an/a 84n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50186043
PNG
(CHEMBL441535 | N-butyl-N-(5-(1,1,1,3,3,3-hexafluor...)
Show SMILES CCCCN(C(=O)c1ccncc1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H15F6N3O2S/c1-2-3-8-25(12(26)10-4-6-23-7-5-10)13-24-9-11(28-13)14(27,15(17,18)19)16(20,21)22/h4-7,9,27H,2-3,8H2,1H3
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n/an/a 111n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50186055
PNG
(CHEMBL211238 | N-(cyclopropylmethyl)-6-(1,1,1,3,3,...)
Show SMILES CCCN(CC1CC1)C(=O)c1ccc(nc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H18F6N2O2/c1-2-7-24(9-10-3-4-10)13(25)11-5-6-12(23-8-11)14(26,15(17,18)19)16(20,21)22/h5-6,8,10,26H,2-4,7,9H2,1H3
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n/an/a 117n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50186050
PNG
(CHEMBL212691 | N-(4-chlorobenzyl)-N-(5-(1,1,1,3,3,...)
Show SMILES CC(C)C(=O)N(Cc1ccc(Cl)cc1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H15ClF6N2O2S/c1-9(2)13(27)26(8-10-3-5-11(18)6-4-10)14-25-7-12(29-14)15(28,16(19,20)21)17(22,23)24/h3-7,9,28H,8H2,1-2H3
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n/an/a 148n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50186058
PNG
(CHEMBL377742 | N-butyl-N-(5-(1,1,1,3,3,3-hexafluor...)
Show SMILES CCCCN(C(C)=O)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C12H14F6N2O2S/c1-3-4-5-20(7(2)21)9-19-6-8(23-9)10(22,11(13,14)15)12(16,17)18/h6,22H,3-5H2,1-2H3
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n/an/a 177n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50186059
PNG
(CHEMBL379061 | N-(5-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CC(C)C(=O)N(Cc1ccccn1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H15F6N3O2S/c1-9(2)12(26)25(8-10-5-3-4-6-23-10)13-24-7-11(28-13)14(27,15(17,18)19)16(20,21)22/h3-7,9,27H,8H2,1-2H3
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n/an/a 187n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50186062
PNG
(1-hydroxy-N,N-diisobutyl-6-(2,2,2-trifluoro-1-hydr...)
Show SMILES CC(C)CN(CC(C)C)C(=O)c1ccc([n+]([O-])c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H22F6N2O3/c1-10(2)7-24(8-11(3)4)14(26)12-5-6-13(25(28)9-12)15(27,16(18,19)20)17(21,22)23/h5-6,9-11,27H,7-8H2,1-4H3
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n/an/a 235n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50186060
PNG
(CHEMBL378879 | N-(4-methoxybenzyl)-N-(5-(1,1,1,3,3...)
Show SMILES COc1ccc(CN(C(=O)C(C)C)c2ncc(s2)C(O)(C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C18H18F6N2O3S/c1-10(2)14(27)26(9-11-4-6-12(29-3)7-5-11)15-25-8-13(30-15)16(28,17(19,20)21)18(22,23)24/h4-8,10,28H,9H2,1-3H3
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n/an/a 353n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50186063
PNG
(CHEMBL210650 | N-(5-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CC(C)C(=O)N(Cc1nccn1C)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H16F6N4O2S/c1-8(2)11(26)25(7-10-22-4-5-24(10)3)12-23-6-9(28-12)13(27,14(16,17)18)15(19,20)21/h4-6,8,27H,7H2,1-3H3
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n/an/a 356n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50186061
PNG
(CHEMBL209976 | N-(3,4-dichlorobenzyl)-N-(5-(1,1,1,...)
Show SMILES CC(C)C(=O)N(Cc1ccc(Cl)c(Cl)c1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H14Cl2F6N2O2S/c1-8(2)13(28)27(7-9-3-4-10(18)11(19)5-9)14-26-6-12(30-14)15(29,16(20,21)22)17(23,24)25/h3-6,8,29H,7H2,1-2H3
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n/an/a 438n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50186066
PNG
(CHEMBL211056 | N-butyl-N-(5-(1,1,1,3,3,3-hexafluor...)
Show SMILES CCCCN(C(=O)CCC)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H18F6N2O2S/c1-3-5-7-22(10(23)6-4-2)11-21-8-9(25-11)12(24,13(15,16)17)14(18,19)20/h8,24H,3-7H2,1-2H3
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n/an/a 526n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50186067
PNG
(CHEMBL378975 | N-benzyl-N-(5-(1,1,1,3,3,3-hexafluo...)
Show SMILES CC(C)C(=O)N(Cc1ccccc1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H16F6N2O2S/c1-10(2)13(26)25(9-11-6-4-3-5-7-11)14-24-8-12(28-14)15(27,16(18,19)20)17(21,22)23/h3-8,10,27H,9H2,1-2H3
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n/an/a 689n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50186057
PNG
(CHEMBL378457 | N-ethyl-N-(5-(1,1,1,3,3,3-hexafluor...)
Show SMILES CCN(C(=O)C(C)C)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C12H14F6N2O2S/c1-4-20(8(21)6(2)3)9-19-5-7(23-9)10(22,11(13,14)15)12(16,17)18/h5-6,22H,4H2,1-3H3
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n/an/a 794n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50186048
PNG
(CHEMBL212381 | N-butyl-N-(5-(1,1,1,3,3,3-hexafluor...)
Show SMILES CCCCN(C(=O)C(C)C)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H18F6N2O2S/c1-4-5-6-22(10(23)8(2)3)11-21-7-9(25-11)12(24,13(15,16)17)14(18,19)20/h7-8,24H,4-6H2,1-3H3
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n/an/a 984n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50186045
PNG
(CHEMBL378678 | N-(4-(1H-tetrazol-1-yl)benzyl)-N-(5...)
Show SMILES CC(C)C(=O)N(Cc1ccc(cc1)-n1cnnn1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H16F6N6O2S/c1-10(2)14(31)29(8-11-3-5-12(6-4-11)30-9-26-27-28-30)15-25-7-13(33-15)16(32,17(19,20)21)18(22,23)24/h3-7,9-10,32H,8H2,1-2H3
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n/an/a 1.28E+3n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50186042
PNG
(CHEMBL377527 | N-(5-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CC(C)C(=O)N(CC1CCCO1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H18F6N2O3S/c1-8(2)11(24)23(7-9-4-3-5-26-9)12-22-6-10(27-12)13(25,14(16,17)18)15(19,20)21/h6,8-9,25H,3-5,7H2,1-2H3
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n/an/a 1.58E+3n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50186064
PNG
(CHEMBL209718 | N-(5-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CC(C)C(=O)N(c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C16H14F6N2O2S/c1-9(2)12(25)24(10-6-4-3-5-7-10)13-23-8-11(27-13)14(26,15(17,18)19)16(20,21)22/h3-9,26H,1-2H3
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n/an/a 1.71E+3n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50186051
PNG
(CHEMBL208890 | N-butyl-N-(5-(1,1,1,3,3,3-hexafluor...)
Show SMILES CCCCN(C(=O)c1ccccc1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H16F6N2O2S/c1-2-3-9-25(13(26)11-7-5-4-6-8-11)14-24-10-12(28-14)15(27,16(18,19)20)17(21,22)23/h4-8,10,27H,2-3,9H2,1H3
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n/an/a 3.33E+3n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair