Found 11 hits of ec50 data for polymerid = 50004594 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
(Mus musculus) | BDBM50328246
(3-(4-carbamoyl-1-(5-(1,1,1,3,3,3-hexafluoro-2-hydr...)Show SMILES NC(=O)C1(CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F)c1cccc(c1)C(O)=O Show InChI InChI=1S/C19H17F6N3O4S/c20-18(21,22)17(32,19(23,24)25)12-9-27-15(33-12)28-6-4-16(5-7-28,14(26)31)11-3-1-2-10(8-11)13(29)30/h1-3,8-9,32H,4-7H2,(H2,26,31)(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 150 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MCD in mouse hepatocytes by whole cell assay |
Bioorg Med Chem Lett 20: 6088-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.047
BindingDB Entry DOI: 10.7270/Q2542NTX |
More data for this
Ligand-Target Pair | |
Malonyl-CoA decarboxylase, mitochondrial
(Mus musculus) | BDBM50328235
(3-(1-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-...)Show SMILES OC(=O)c1cccc(c1)C1CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H16F6N2O3S/c19-17(20,21)16(29,18(22,23)24)13-9-25-15(30-13)26-6-4-10(5-7-26)11-2-1-3-12(8-11)14(27)28/h1-3,8-10,29H,4-7H2,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 230 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MCD in mouse hepatocytes by whole cell assay |
Bioorg Med Chem Lett 20: 6088-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.047
BindingDB Entry DOI: 10.7270/Q2542NTX |
More data for this
Ligand-Target Pair | |
Malonyl-CoA decarboxylase, mitochondrial
(Mus musculus) | BDBM50328248
(1-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)...)Show SMILES CS(=O)(=O)NC(=O)C1(CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C19H19F6N3O4S2/c1-34(31,32)27-14(29)16(12-5-3-2-4-6-12)7-9-28(10-8-16)15-26-11-13(33-15)17(30,18(20,21)22)19(23,24)25/h2-6,11,30H,7-10H2,1H3,(H,27,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MCD in mouse hepatocytes by whole cell assay |
Bioorg Med Chem Lett 20: 6088-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.047
BindingDB Entry DOI: 10.7270/Q2542NTX |
More data for this
Ligand-Target Pair | |
Malonyl-CoA decarboxylase, mitochondrial
(Mus musculus) | BDBM50328227
(3-(4-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-...)Show SMILES CNC(=O)c1cccc(c1)N1CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H18F6N4O2S/c1-25-14(29)11-3-2-4-12(9-11)27-5-7-28(8-6-27)15-26-10-13(31-15)16(30,17(19,20)21)18(22,23)24/h2-4,9-10,30H,5-8H2,1H3,(H,25,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 630 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MCD in mouse hepatocytes by whole cell assay |
Bioorg Med Chem Lett 20: 6088-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.047
BindingDB Entry DOI: 10.7270/Q2542NTX |
More data for this
Ligand-Target Pair | |
Malonyl-CoA decarboxylase, mitochondrial
(Mus musculus) | BDBM50328243
(1-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)...)Show SMILES CNC(=O)C1(CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C19H19F6N3O2S/c1-26-14(29)16(12-5-3-2-4-6-12)7-9-28(10-8-16)15-27-11-13(31-15)17(30,18(20,21)22)19(23,24)25/h2-6,11,30H,7-10H2,1H3,(H,26,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 640 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MCD in mouse hepatocytes by whole cell assay |
Bioorg Med Chem Lett 20: 6088-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.047
BindingDB Entry DOI: 10.7270/Q2542NTX |
More data for this
Ligand-Target Pair | |
Malonyl-CoA decarboxylase, mitochondrial
(Mus musculus) | BDBM50328237
(3-(1-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-...)Show SMILES NC(=O)c1cccc(c1)C1CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H17F6N3O2S/c19-17(20,21)16(29,18(22,23)24)13-9-26-15(30-13)27-6-4-10(5-7-27)11-2-1-3-12(8-11)14(25)28/h1-3,8-10,29H,4-7H2,(H2,25,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 950 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MCD in mouse hepatocytes by whole cell assay |
Bioorg Med Chem Lett 20: 6088-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.047
BindingDB Entry DOI: 10.7270/Q2542NTX |
More data for this
Ligand-Target Pair | |
Malonyl-CoA decarboxylase, mitochondrial
(Mus musculus) | BDBM50328242
(1-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)...)Show SMILES NC(=O)C1(CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C18H17F6N3O2S/c19-17(20,21)16(29,18(22,23)24)12-10-26-14(30-12)27-8-6-15(7-9-27,13(25)28)11-4-2-1-3-5-11/h1-5,10,29H,6-9H2,(H2,25,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MCD in mouse hepatocytes by whole cell assay |
Bioorg Med Chem Lett 20: 6088-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.047
BindingDB Entry DOI: 10.7270/Q2542NTX |
More data for this
Ligand-Target Pair | |
Malonyl-CoA decarboxylase, mitochondrial
(Mus musculus) | BDBM50328225
(3-(4-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-...)Show SMILES NC(=O)c1cccc(c1)N1CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H16F6N4O2S/c18-16(19,20)15(29,17(21,22)23)12-9-25-14(30-12)27-6-4-26(5-7-27)11-3-1-2-10(8-11)13(24)28/h1-3,8-9,29H,4-7H2,(H2,24,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MCD in mouse hepatocytes by whole cell assay |
Bioorg Med Chem Lett 20: 6088-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.047
BindingDB Entry DOI: 10.7270/Q2542NTX |
More data for this
Ligand-Target Pair | |
Malonyl-CoA decarboxylase, mitochondrial
(Mus musculus) | BDBM50328231
(3-(4-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-...)Show SMILES NC(=O)c1cccc(c1)N1CCC(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H17F6N3O2S/c19-17(20,21)16(29,18(22,23)24)13-9-26-15(30-13)10-4-6-27(7-5-10)12-3-1-2-11(8-12)14(25)28/h1-3,8-10,29H,4-7H2,(H2,25,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MCD in mouse hepatocytes by whole cell assay |
Bioorg Med Chem Lett 20: 6088-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.047
BindingDB Entry DOI: 10.7270/Q2542NTX |
More data for this
Ligand-Target Pair | |
Malonyl-CoA decarboxylase, mitochondrial
(Mus musculus) | BDBM50328230
(1,1,1,3,3,3-hexafluoro-2-(2-(1-(4-fluorophenyl)pip...)Show SMILES OC(c1cnc(s1)C1CCN(CC1)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H15F7N2OS/c18-11-1-3-12(4-2-11)26-7-5-10(6-8-26)14-25-9-13(28-14)15(27,16(19,20)21)17(22,23)24/h1-4,9-10,27H,5-8H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MCD in mouse hepatocytes by whole cell assay |
Bioorg Med Chem Lett 20: 6088-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.047
BindingDB Entry DOI: 10.7270/Q2542NTX |
More data for this
Ligand-Target Pair | |
Malonyl-CoA decarboxylase, mitochondrial
(Mus musculus) | BDBM50328213
(2-(2-(4-(3,4-difluorophenyl)piperazin-1-yl)thiazol...)Show SMILES OC(c1cnc(s1)N1CCN(CC1)c1ccc(F)c(F)c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H13F8N3OS/c17-10-2-1-9(7-11(10)18)26-3-5-27(6-4-26)13-25-8-12(29-13)14(28,15(19,20)21)16(22,23)24/h1-2,7-8,28H,3-6H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MCD in mouse hepatocytes by whole cell assay |
Bioorg Med Chem Lett 20: 6088-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.047
BindingDB Entry DOI: 10.7270/Q2542NTX |
More data for this
Ligand-Target Pair | |
Search and Browse
