Found 54 hits with Last Name = 'penuliar' and Initial = 'r' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Malonyl-CoA decarboxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50190401
(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 |t:13| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50190407
((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 |t:15| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50190397
(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 |t:13| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50190399
(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 |t:14| 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) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50190410
(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 |t:13| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50190408
(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 |t:18| 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) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50186046
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50190413
(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 |t:13| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50186054
(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) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50190415
(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 |t:16| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50190416
(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 |t:14| 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) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50186052
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50186053
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50186047
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50186044
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50190411
(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 |t:13| 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) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50186056
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50190403
(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 |t:11| 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) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50190406
(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 |t:11| 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) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50190404
(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 |t:16| 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) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50190418
(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 |t:12| 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) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50190405
(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 |t:19| 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) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50190392
(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 |t:16| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50186049
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50186068
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50190396
(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 |t:10| 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) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50186065
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50186043
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 111 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50190393
((2S)-tert-butyl 2-(5-(1,1,1,3,3,3-hexafluoro-2-hyd...)Show SMILES CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F |t:19| Show InChI InChI=1S/C20H22F6N2O5/c1-17(2,3)32-16(30)13(9-11-7-5-4-6-8-11)27-15(29)12-10-14(33-28-12)18(31,19(21,22)23)20(24,25)26/h4-8,13-14,31H,9-10H2,1-3H3,(H,27,29)/t13-,14?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 113 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50186055
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50190414
(CHEMBL386147 | tert-butyl-(3S)-3-{[(5S)-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 |t:13| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 136 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50190417
(5-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-eth...)Show SMILES CC(C)CN(CC(C)C)C(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F |t:11| Show InChI InChI=1S/C15H22F6N2O3/c1-8(2)6-23(7-9(3)4)12(24)10-5-11(26-22-10)13(25,14(16,17)18)15(19,20)21/h8-9,11,25H,5-7H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 137 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50186050
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 148 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50190412
(CHEMBL209829 | tert-butyl-(3R)-3-{[(5S)-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 |t:13| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 168 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50186058
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 177 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50186059
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 187 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50186062
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 235 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50186060
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 353 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50186063
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 356 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50190395
(CHEMBL210137 | ethyl 4-(5-(1,1,1,3,3,3-hexafluoro-...)Show SMILES CCOC(=O)CCCNC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F |t:11| Show InChI InChI=1S/C13H16F6N2O5/c1-2-25-9(22)4-3-5-20-10(23)7-6-8(26-21-7)11(24,12(14,15)16)13(17,18)19/h8,24H,2-6H2,1H3,(H,20,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 421 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50186061
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 438 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50190394
(3-{[5-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl...)Show SMILES CCOC(=O)CCNC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F |t:10| Show InChI InChI=1S/C12H14F6N2O5/c1-2-24-8(21)3-4-19-9(22)6-5-7(25-20-6)10(23,11(13,14)15)12(16,17)18/h7,23H,2-5H2,1H3,(H,19,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 463 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50190409
(5-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-eth...)Show SMILES CC(C)(C)CCNC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F |t:9| Show InChI InChI=1S/C13H18F6N2O3/c1-10(2,3)4-5-20-9(22)7-6-8(24-21-7)11(23,12(14,15)16)13(17,18)19/h8,23H,4-6H2,1-3H3,(H,20,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 489 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50186066
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 526 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50190398
(5-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-eth...)Show SMILES CC(C)CN(C)C(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F |t:8| Show InChI InChI=1S/C12H16F6N2O3/c1-6(2)5-20(3)9(21)7-4-8(23-19-7)10(22,11(13,14)15)12(16,17)18/h6,8,22H,4-5H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 676 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50186067
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 689 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50186057
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 794 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50190400
(5-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-eth...)Show SMILES CC(C)CNC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F |t:7| Show InChI InChI=1S/C11H14F6N2O3/c1-5(2)4-18-8(20)6-3-7(22-19-6)9(21,10(12,13)14)11(15,16)17/h5,7,21H,3-4H2,1-2H3,(H,18,20) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 801 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50186048
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 984 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50186045
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.28E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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