Found 2 hits Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase 3' and Ligand = 'BDBM50424223' 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 |
|---|
Glycogen synthase kinase 3
(Plasmodium falciparum (isolate 3D7)) | BDBM50424223
(CHEMBL2313853)Show SMILES Nc1c(sc2nc(N)c(C#N)c(-c3ccccc3Cl)c12)C(=O)c1cccc(Cl)c1 |(27.03,-4.45,;26.56,-5.91,;27.47,-7.17,;26.56,-8.42,;25.08,-7.94,;23.75,-8.72,;22.42,-7.94,;21.08,-8.71,;22.42,-6.4,;21.08,-5.62,;19.75,-4.85,;23.75,-5.63,;23.74,-4.1,;25.07,-3.32,;25.07,-1.78,;23.73,-1.02,;22.4,-1.8,;22.41,-3.33,;21.08,-4.11,;25.08,-6.39,;29.01,-7.17,;29.78,-5.83,;29.78,-8.5,;29,-9.83,;29.77,-11.17,;31.32,-11.17,;32.08,-9.82,;33.62,-9.82,;31.31,-8.5,)| Show InChI InChI=1S/C21H12Cl2N4OS/c22-11-5-3-4-10(8-11)18(28)19-17(25)16-15(12-6-1-2-7-14(12)23)13(9-24)20(26)27-21(16)29-19/h1-8H,25H2,(H2,26,27) | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| |
Bioorg Med Chem Lett 15: 1333-6 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase 3
(Plasmodium falciparum (isolate 3D7)) | BDBM50424223
(CHEMBL2313853)Show SMILES Nc1c(sc2nc(N)c(C#N)c(-c3ccccc3Cl)c12)C(=O)c1cccc(Cl)c1 |(27.03,-4.45,;26.56,-5.91,;27.47,-7.17,;26.56,-8.42,;25.08,-7.94,;23.75,-8.72,;22.42,-7.94,;21.08,-8.71,;22.42,-6.4,;21.08,-5.62,;19.75,-4.85,;23.75,-5.63,;23.74,-4.1,;25.07,-3.32,;25.07,-1.78,;23.73,-1.02,;22.4,-1.8,;22.41,-3.33,;21.08,-4.11,;25.08,-6.39,;29.01,-7.17,;29.78,-5.83,;29.78,-8.5,;29,-9.83,;29.77,-11.17,;31.32,-11.17,;32.08,-9.82,;33.62,-9.82,;31.31,-8.5,)| Show InChI InChI=1S/C21H12Cl2N4OS/c22-11-5-3-4-10(8-11)18(28)19-17(25)16-15(12-6-1-2-7-14(12)23)13(9-24)20(26)27-21(16)29-19/h1-8H,25H2,(H2,26,27) | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| |
Bioorg Med Chem Lett 15: 1333-6 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2 |
More data for this
Ligand-Target Pair | |
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