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Compile Data Set for Download or QSAR

Found 4 hits of ic50 data for polymerid = 50007391,50007392,50007393   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of DAGK zeta (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM50239117
PNG
(CHEMBL4060768)
Show SMILES Fc1cc(F)cc(c1)N1CCC[C@@H]1c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C28H29F2N3O5/c29-19-14-20(30)16-21(15-19)33-3-1-2-24(33)22-12-18(28(35)32-6-10-37-11-7-32)13-23-25(34)17-26(38-27(22)23)31-4-8-36-9-5-31/h12-17,24H,1-11H2/t24-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranes


Bioorg Med Chem Lett 27: 1949-1954 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.027
BindingDB Entry DOI: 10.7270/Q2SB47W8
More data for this
Ligand-Target Pair
Diacylglycerol kinase beta


(Homo sapiens)
BDBM50239117
PNG
(CHEMBL4060768)
Show SMILES Fc1cc(F)cc(c1)N1CCC[C@@H]1c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C28H29F2N3O5/c29-19-14-20(30)16-21(15-19)33-3-1-2-24(33)22-12-18(28(35)32-6-10-37-11-7-32)13-23-25(34)17-26(38-27(22)23)31-4-8-36-9-5-31/h12-17,24H,1-11H2/t24-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranes


Bioorg Med Chem Lett 27: 1949-1954 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.027
BindingDB Entry DOI: 10.7270/Q2SB47W8
More data for this
Ligand-Target Pair
Diacylglycerol kinase gamma


(Homo sapiens)
BDBM50239117
PNG
(CHEMBL4060768)
Show SMILES Fc1cc(F)cc(c1)N1CCC[C@@H]1c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C28H29F2N3O5/c29-19-14-20(30)16-21(15-19)33-3-1-2-24(33)22-12-18(28(35)32-6-10-37-11-7-32)13-23-25(34)17-26(38-27(22)23)31-4-8-36-9-5-31/h12-17,24H,1-11H2/t24-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranes


Bioorg Med Chem Lett 27: 1949-1954 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.027
BindingDB Entry DOI: 10.7270/Q2SB47W8
More data for this
Ligand-Target Pair