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Patent code US9452985

Compile Data Set for Download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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))
BDBM247405
PNG
(US9452985, THK-5125)
Show SMILES CCNc1ccc(cc1)-c1ccc2cc(OCC(O)CF)ccc2n1
Show InChI InChI=1S/C20H21FN2O2/c1-2-22-16-6-3-14(4-7-16)19-9-5-15-11-18(8-10-20(15)23-19)25-13-17(24)12-21/h3-11,17,22,24H,2,12-13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
9.20n/an/an/an/an/an/an/an/a



GE Healthcare Limited

US Patent


Assay Description
For tau imaging probes other than THK-5105, binding to K18-ΔK280 aggregates was evaluated with a competitive binding test using [18F] THK-5105 a...


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


(Homo sapiens (Human))
BDBM247403
PNG
(US9452985, THK-5117)
Show SMILES CNc1ccc(cc1)-c1ccc2cc(OCC(O)CF)ccc2n1
Show InChI InChI=1S/C19H19FN2O2/c1-21-15-5-2-13(3-6-15)18-8-4-14-10-17(7-9-19(14)22-18)24-12-16(23)11-20/h2-10,16,21,23H,11-12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
10.5n/an/an/an/an/an/an/an/a



GE Healthcare Limited

US Patent


Assay Description
For tau imaging probes other than THK-5105, binding to K18-ΔK280 aggregates was evaluated with a competitive binding test using [18F] THK-5105 a...


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


(Homo sapiens (Human))
BDBM247407
PNG
(US9452985, THK-5129)
Show SMILES CN(C)c1ccc(cn1)-c1ccc2cc(OCC(O)CF)ccc2n1
Show InChI InChI=1S/C19H20FN3O2/c1-23(2)19-8-4-14(11-21-19)18-6-3-13-9-16(5-7-17(13)22-18)25-12-15(24)10-20/h3-9,11,15,24H,10,12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
21.4n/an/an/an/an/an/an/an/a



GE Healthcare Limited

US Patent


Assay Description
For tau imaging probes other than THK-5105, binding to K18-ΔK280 aggregates was evaluated with a competitive binding test using [18F] THK-5105 a...


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


(Homo sapiens (Human))
BDBM247404
PNG
(US9452985, THK-5122)
Show SMILES CCN(CC)c1ccc(cc1)-c1ccc2cc(OCC(O)CF)ccc2n1
Show InChI InChI=1S/C22H25FN2O2/c1-3-25(4-2)18-8-5-16(6-9-18)21-11-7-17-13-20(10-12-22(17)24-21)27-15-19(26)14-23/h5-13,19,26H,3-4,14-15H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
34.9n/an/an/an/an/an/an/an/a



GE Healthcare Limited

US Patent


Assay Description
For tau imaging probes other than THK-5105, binding to K18-ΔK280 aggregates was evaluated with a competitive binding test using [18F] THK-5105 a...


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


(Homo sapiens (Human))
BDBM247402
PNG
(US9452985, THK-5116)
Show SMILES Nc1ccc(cc1)-c1ccc2cc(OCC(O)CF)ccc2n1
Show InChI InChI=1S/C18H17FN2O2/c19-10-15(22)11-23-16-6-8-18-13(9-16)3-7-17(21-18)12-1-4-14(20)5-2-12/h1-9,15,22H,10-11,20H2
PDB

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UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
36n/an/an/an/an/an/an/an/a



GE Healthcare Limited

US Patent


Assay Description
For tau imaging probes other than THK-5105, binding to K18-ΔK280 aggregates was evaluated with a competitive binding test using [18F] THK-5105 a...


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


(Homo sapiens (Human))
BDBM247406
PNG
(US9452985, THK-5151)
Show SMILES CNc1ccc(cn1)-c1ccc2cc(OCC(O)CF)ccc2n1
Show InChI InChI=1S/C18H18FN3O2/c1-20-18-7-3-13(10-21-18)17-5-2-12-8-15(4-6-16(12)22-17)24-11-14(23)9-19/h2-8,10,14,23H,9,11H2,1H3,(H,20,21)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
40.1n/an/an/an/an/an/an/an/a



GE Healthcare Limited

US Patent


Assay Description
For tau imaging probes other than THK-5105, binding to K18-ΔK280 aggregates was evaluated with a competitive binding test using [18F] THK-5105 a...


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


(Homo sapiens (Human))
BDBM247408
PNG
(US9452985, THK-523 (reference for comparison))
Show SMILES Nc1ccc(cc1)-c1ccc2cc(OCCF)ccc2n1
Show InChI InChI=1S/C17H15FN2O/c18-9-10-21-15-6-8-17-13(11-15)3-7-16(20-17)12-1-4-14(19)5-2-12/h1-8,11H,9-10,19H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
59.3n/an/an/an/an/an/an/an/a



GE Healthcare Limited

US Patent


Assay Description
For tau imaging probes other than THK-5105, binding to K18-ΔK280 aggregates was evaluated with a competitive binding test using [18F] THK-5105 a...


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


(Homo sapiens (Human))
BDBM50185987
PNG
(2-(1-(6-((2-fluoroethyl)(methyl)amino)naphthalen-2...)
Show SMILES CN(CCF)c1ccc2cc(ccc2c1)C(C)=C(C#N)C#N
Show InChI InChI=1S/C18H16FN3/c1-13(17(11-20)12-21)14-3-4-16-10-18(22(2)8-7-19)6-5-15(16)9-14/h3-6,9-10H,7-8H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
256n/an/an/an/an/an/an/an/a



GE Healthcare Limited

US Patent


Assay Description
For tau imaging probes other than THK-5105, binding to K18-ΔK280 aggregates was evaluated with a competitive binding test using [18F] THK-5105 a...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%