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Compile Data Set for Download or QSAR

Found 4 hits of ec50 data for polymerid = 50004467,7499   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Tau


(Homo sapiens (Human))
BDBM50393082
PNG
(CHEMBL2152858)
Show SMILES Clc1ccc2[nH]cc(CCNC(=O)c3ccc(cc3)-c3cccc(c3)C#N)c2c1
Show InChI InChI=1S/C24H18ClN3O/c25-21-8-9-23-22(13-21)20(15-28-23)10-11-27-24(29)18-6-4-17(5-7-18)19-3-1-2-16(12-19)14-26/h1-9,12-13,15,28H,10-11H2,(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
n/an/an/an/a 24n/an/an/an/a


TBA

Assay Description
Inhibition of Tau phosphorylation by cell based assay


Citation and Details
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50393081
PNG
(CHEMBL2152857)
Show SMILES Clc1ccc2[nH]cc(CCNC(=O)c3cccc(c3)-c3ccccc3C#N)c2c1
Show InChI InChI=1S/C24H18ClN3O/c25-20-8-9-23-22(13-20)19(15-28-23)10-11-27-24(29)17-6-3-5-16(12-17)21-7-2-1-4-18(21)14-26/h1-9,12-13,15,28H,10-11H2,(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
n/an/an/an/a 169n/an/an/an/a


TBA

Assay Description
Inhibition of Tau phosphorylation by cell based assay


Citation and Details
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50393083
PNG
(CHEMBL2152859)
Show SMILES Clc1ccc2[nH]cc(CCNC(=O)c3ccccc3-c3ccc(cc3)C#N)c2c1
Show InChI InChI=1S/C24H18ClN3O/c25-19-9-10-23-22(13-19)18(15-28-23)11-12-27-24(29)21-4-2-1-3-20(21)17-7-5-16(14-26)6-8-17/h1-10,13,15,28H,11-12H2,(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
n/an/an/an/a 325n/an/an/an/a


TBA

Assay Description
Inhibition of Tau phosphorylation by cell based assay


Citation and Details
More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Rattus norvegicus)
BDBM50340902
PNG
((4-amino-2-(pyridin-3-ylamino)thiazol-5-yl)(2-fluo...)
Show SMILES Nc1nc(Nc2cccnc2)sc1C(=O)c1ccccc1F
Show InChI InChI=1S/C15H11FN4OS/c16-11-6-2-1-5-10(11)12(21)13-14(17)20-15(22-13)19-9-4-3-7-18-8-9/h1-8H,17H2,(H,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 5.50E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of tau protein phosphorylation at Ser396 in rat brain cells at 0.5 to 50 uM after 4 hrs


Bioorg Med Chem Lett 21: 2098-101 (2011)

More data for this
Ligand-Target Pair