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Compile Data Set for Download or QSAR

Found 6 hits of kd data for polymerid = 7499   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Tau


(Homo sapiens (Human))
BDBM50400616
PNG
(CHEMBL2203439)
Show SMILES Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2n1C
Show InChI InChI=1S/C17H16F3N3O2S/c1-11-13(21-8-7-15(11)25-10-17(18,19)20)9-26(24)16-22-12-5-3-4-6-14(12)23(16)2/h3-8H,9-10H2,1-2H3
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Article
PubMed
n/an/an/a 0.700n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to heparin induced human Tau 441 at 50 pM to 500 nM after 30 mins


ACS Med Chem Lett 3: 936-941 (2012)


Article DOI: 10.1021/ml300216t
BindingDB Entry DOI: 10.7270/Q2Z320TV
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50384538
PNG
(CHEMBL2036419 | CHEMBL2036420)
Show SMILES CN(C)c1ccc(cc1)\N=N\c1nc2ccc(OCCOCCOCCF)cc2s1
Show InChI InChI=1S/C21H25FN4O3S/c1-26(2)17-5-3-16(4-6-17)24-25-21-23-19-8-7-18(15-20(19)30-21)29-14-13-28-12-11-27-10-9-22/h3-8,15H,9-14H2,1-2H3/b25-24+
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PubMed
n/an/an/a 44.8n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human tau expressed in Escherichia coli after 30 mins by fluorescence assay


ACS Med Chem Lett 3: 58-62 (2012)


Article DOI: 10.1021/ml200230e
BindingDB Entry DOI: 10.7270/Q2PR7X1P
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50103964
PNG
(CHEMBL3593932)
Show SMILES [O-][N+](=O)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccc(OCCF)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C26H21FN2O4/c27-16-17-33-22-14-10-20(11-15-22)18-28-25-7-2-1-5-23(25)24(26(28)30)6-3-4-19-8-12-21(13-9-19)29(31)32/h1-15H,16-18H2/b4-3+,24-6-
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n/an/an/a 50n/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL after 1 hr by scintillation counting


J Med Chem 58: 6002-17 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00571
BindingDB Entry DOI: 10.7270/Q24Q7WRC
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50434484
PNG
(CHEMBL2385165)
Show SMILES CN(C)c1ccc(C=Cc2nc3ccc(I)cc3[nH]2)cc1
Show InChI InChI=1S/C17H16IN3/c1-21(2)14-7-3-12(4-8-14)5-10-17-19-15-9-6-13(18)11-16(15)20-17/h3-11H,1-2H3,(H,19,20)
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n/an/an/a 300n/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human tau (441 amino acid residues) aggregates expressed in Escherichia coli assessed as apparent dissociation consta...


Bioorg Med Chem 21: 3356-62 (2013)


Article DOI: 10.1016/j.bmc.2013.02.054
BindingDB Entry DOI: 10.7270/Q23J3FB2
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50434483
PNG
(CHEMBL2385164)
Show SMILES CNc1ccc(C=Cc2nc3ccc(I)cc3[nH]2)cc1
Show InChI InChI=1S/C16H14IN3/c1-18-13-6-2-11(3-7-13)4-9-16-19-14-8-5-12(17)10-15(14)20-16/h2-10,18H,1H3,(H,19,20)
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PubMed
n/an/an/a 450n/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human tau (441 amino acid residues) aggregates expressed in Escherichia coli assessed as apparent dissociation consta...


Bioorg Med Chem 21: 3356-62 (2013)


Article DOI: 10.1016/j.bmc.2013.02.054
BindingDB Entry DOI: 10.7270/Q23J3FB2
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50434482
PNG
(CHEMBL2385163)
Show SMILES Nc1ccc(C=Cc2nc3ccc(I)cc3[nH]2)cc1
Show InChI InChI=1S/C15H12IN3/c16-11-4-7-13-14(9-11)19-15(18-13)8-3-10-1-5-12(17)6-2-10/h1-9H,17H2,(H,18,19)
PDB

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PC sid
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Article
PubMed
n/an/an/a 2.36E+3n/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human tau (441 amino acid residues) aggregates expressed in Escherichia coli assessed as apparent dissociation consta...


Bioorg Med Chem 21: 3356-62 (2013)


Article DOI: 10.1016/j.bmc.2013.02.054
BindingDB Entry DOI: 10.7270/Q23J3FB2
More data for this
Ligand-Target Pair