Found 4 hits of ic50 for monomerid = 50236535 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 |
|---|
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50236535
(CHEMBL1231132)Show SMILES CN(C)C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 |r| Show InChI InChI=1S/C19H18ClF3N2O5S/c1-18(28,19(21,22)23)17(27)24-15-9-8-13(10-14(15)20)31(29,30)12-6-4-11(5-7-12)16(26)25(2)3/h4-10,28H,1-3H3,(H,24,27)/t18-/m1/s1 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity towards human Dopamine receptor D2 (short) by [3H]-spiperone displacement. |
J Med Chem 60: 2271-2286 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01478
BindingDB Entry DOI: 10.7270/Q2XG9TDJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial
(Homo sapiens (Human)) | BDBM50236535
(CHEMBL1231132)Show SMILES CN(C)C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 |r| Show InChI InChI=1S/C19H18ClF3N2O5S/c1-18(28,19(21,22)23)17(27)24-15-9-8-13(10-14(15)20)31(29,30)12-6-4-11(5-7-12)16(26)25(2)3/h4-10,28H,1-3H3,(H,24,27)/t18-/m1/s1 | PDB
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CHEMBL
MCE
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| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangsu Normal University
Curated by ChEMBL
| Assay Description
Inhibition of E2-activated human PDHK2 |
Eur J Med Chem 164: 252-262 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.051
BindingDB Entry DOI: 10.7270/Q2183B0Z |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial
(Homo sapiens (Human)) | BDBM50236535
(CHEMBL1231132)Show SMILES CN(C)C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 |r| Show InChI InChI=1S/C19H18ClF3N2O5S/c1-18(28,19(21,22)23)17(27)24-15-9-8-13(10-14(15)20)31(29,30)12-6-4-11(5-7-12)16(26)25(2)3/h4-10,28H,1-3H3,(H,24,27)/t18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangsu Normal University
Curated by ChEMBL
| Assay Description
Inhibition of E2-activated human PDHK2 |
Eur J Med Chem 164: 252-262 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.051
BindingDB Entry DOI: 10.7270/Q2183B0Z |
More data for this
Ligand-Target Pair | |
Bile salt export pump
(Homo sapiens (Human)) | BDBM50236535
(CHEMBL1231132)Show SMILES CN(C)C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 |r| Show InChI InChI=1S/C19H18ClF3N2O5S/c1-18(28,19(21,22)23)17(27)24-15-9-8-13(10-14(15)20)31(29,30)12-6-4-11(5-7-12)16(26)25(2)3/h4-10,28H,1-3H3,(H,24,27)/t18-/m1/s1 | PDB
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antibodypedia
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| Article
PubMed
| n/a | n/a | <1.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Tested in vitro for dopamine(DA) neuronal uptake inhibition |
Drug Metab Dispos 40: 2332-41 (2012)
Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M |
More data for this
Ligand-Target Pair | |
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