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Compile Data Set for Download or QSAR

Found 56 hits of ic50 data for polymerid = 50007016   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tau-tubulin kinase 2


(Homo sapiens (Human))
CHEMBL5283456
PNG
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
UniChem
n/an/a 1.40n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
CHEMBL5280210
PNG
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
UniChem
n/an/a 1.60n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602886
PNG
(CHEMBL5182036)
Show SMILES CC[C@@](C)(O)C#Cc1cc2n(ccc2cn1)-c1cc(OC)nc(N)n1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
CHEMBL5273263
PNG
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
UniChem
n/an/a 13n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602885
PNG
(CHEMBL5193906)
Show SMILES CC1(N)CCN(Cc2ccn3ncnc(Nc4cc(O)cc(Br)c4)c23)CC1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 170n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50506660
PNG
(CHEMBL4528881)
Show SMILES CC1(N)CCC(CC1)Nc1ccn2ncnc(Nc3cc(O)cc(Br)c3)c12
Show InChI InChI=1S/C19H23BrN6O/c1-19(21)5-2-13(3-6-19)24-16-4-7-26-17(16)18(22-11-23-26)25-14-8-12(20)9-15(27)10-14/h4,7-11,13,24,27H,2-3,5-6,21H2,1H3,(H,22,23,25)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas-CSIC

Curated by ChEMBL


Assay Description
Inhibition of TTBK2 (unknown origin)


Eur J Med Chem 161: 39-47 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.030
BindingDB Entry DOI: 10.7270/Q2V98CC0
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602917
PNG
(CHEMBL5200069)
Show SMILES Clc1ccccc1Oc1ccc(Nc2ncnc3[nH]ccc23)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 490n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602903
PNG
(CHEMBL5198544)
Show SMILES N(c1ccc(Oc2ccccc2)cc1)c1ncnc2[nH]ccc12
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 850n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602907
PNG
(CHEMBL5193488)
Show SMILES COc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 970n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602926
PNG
(CHEMBL5200160 | US11814388, Compound 9)
Show SMILES C(Oc1ccc(Nc2ncnc3[nH]ccc23)cc1)c1ccccc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.21E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602909
PNG
(CHEMBL5197789)
Show SMILES Brc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.21E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602910
PNG
(CHEMBL5209196)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.24E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602900
PNG
(CHEMBL5185704 | US11814388, Compound 3)
Show SMILES COc1ccc(Nc2ncnc3[nH]ccc23)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.32E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602899
PNG
(CHEMBL5207783)
Show SMILES N(c1ccccc1)c1ncnc2[nH]ccc12
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.68E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602933
PNG
(CHEMBL5178462)
Show SMILES Cc1ccc(Cn2cc(COc3ccc(Nc4ncnc5[nH]ccc45)cc3)nn2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.75E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602931
PNG
(CHEMBL5197012)
Show SMILES Clc1cccc(Cn2cc(COc3ccc(Nc4ncnc5[nH]ccc45)cc3)nn2)c1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.03E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602906
PNG
(CHEMBL5187459)
Show SMILES N#Cc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.14E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602932
PNG
(CHEMBL5178965)
Show SMILES C(Cn1cc(COc2ccc(Nc3ncnc4[nH]ccc34)cc2)nn1)c1ccccc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.61E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602920
PNG
(CHEMBL5187125)
Show SMILES Nc1nc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c2cc[nH]c2n1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602930
PNG
(CHEMBL5181249)
Show SMILES Clc1ccccc1Cn1cc(COc2ccc(Nc3ncnc4[nH]ccc34)cc2)nn1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.75E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602929
PNG
(CHEMBL5193034)
Show SMILES Clc1ccc(Cn2cc(COc3ccc(Nc4ncnc5[nH]ccc45)cc3)nn2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.87E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602905
PNG
(CHEMBL5208565)
Show SMILES Fc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.02E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602922
PNG
(CHEMBL5184336)
Show SMILES Nc1nc(Nc2ccc(Oc3cccc(Cl)c3)cc2)c2cc[nH]c2n1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.05E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602923
PNG
(CHEMBL5178871)
Show SMILES Nc1nc(Nc2ccc(Oc3cccc(c3)C(F)(F)F)cc2)c2cc[nH]c2n1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50506661
PNG
(CHEMBL4517951)
Show SMILES COC(=O)c1cc(Nc2ncnc3[nH]ccc23)ccc1Br
Show InChI InChI=1S/C14H11BrN4O2/c1-21-14(20)10-6-8(2-3-11(10)15)19-13-9-4-5-16-12(9)17-7-18-13/h2-7H,1H3,(H2,16,17,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 4.20E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602904
PNG
(CHEMBL5204869)
Show SMILES Clc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 4.22E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602921
PNG
(CHEMBL5180098)
Show SMILES Nc1nc(Nc2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)c2cc[nH]c2n1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.49E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602911
PNG
(CHEMBL5171328)
Show SMILES Nc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602925
PNG
(CHEMBL5188513)
Show SMILES Nc1ccc(Sc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.94E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602928
PNG
(CHEMBL5209161)
Show SMILES Fc1ccc(cc1)C(=O)c1ccc(Nc2ncnc3[nH]ccc23)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602898
PNG
(CHEMBL5171736)
Show SMILES C1CN(CCO1)c1cccc(Nc2ncnc3[nH]ccc23)c1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.70E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602919
PNG
(CHEMBL5169390)
Show SMILES Clc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1Cl
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.72E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602934
PNG
(CHEMBL5206548)
Show SMILES N(c1ccc(Oc2cccnc2)cc1)c1ncnc2[nH]ccc12
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.05E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602913
PNG
(CHEMBL5207918)
Show SMILES Cc1cccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)c1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.40E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602888
PNG
(CHEMBL5204443)
Show SMILES Oc1cccc(Nc2ncnc3[nH]ccc23)c1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.70E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602916
PNG
(CHEMBL5196033)
Show SMILES COc1cccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)c1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.79E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602889
PNG
(CHEMBL5186693)
Show SMILES Oc1ccc(Nc2ncnc3[nH]ccc23)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.40E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602896
PNG
(CHEMBL5182006)
Show SMILES C1Oc2cccc(Nc3ncnc4[nH]ccc34)c2O1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.58E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602901
PNG
(CHEMBL5202436)
Show SMILES CC(C)Oc1ccc(Nc2ncnc3[nH]ccc23)cc1
PDB

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n/an/a 8.40E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602912
PNG
(CHEMBL5179559)
Show SMILES Cc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1
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n/an/a 8.79E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50328192
PNG
(CHEMBL1257781 | N-(4-(Trifluoromethoxy)phenyl)-7H-...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3[nH]ccc23)cc1
Show InChI InChI=1S/C13H9F3N4O/c14-13(15,16)21-9-3-1-8(2-4-9)20-12-10-5-6-17-11(10)18-7-19-12/h1-7H,(H2,17,18,19,20)
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n/an/a 8.80E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602897
PNG
(CHEMBL5209114)
Show SMILES CC(=O)c1ccc(Nc2ncnc3[nH]ccc23)cc1
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n/an/a 9.30E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50044784
PNG
(CHEBI:79090 | SB-202190 | US10865384, Compound SB2...)
Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
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n/an/a 9.34E+3n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human TTBK2 using MBP as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 161: 456-467 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.052
BindingDB Entry DOI: 10.7270/Q2W380MT
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602918
PNG
(CHEMBL5193008)
Show SMILES COc1ccccc1Oc1ccc(Nc2ncnc3[nH]ccc23)cc1
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n/an/a 9.54E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50519662
PNG
(CHEMBL4438748)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C26H23N3O5/c1-29(2)20-8-6-17(7-9-20)26(32)28-19-5-3-4-18(14-19)27-25(31)16-34-21-10-11-22-23(30)12-13-33-24(22)15-21/h3-15H,16H2,1-2H3,(H,27,31)(H,28,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TTBK2 (1 to331 residues) using casein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50135286
PNG
(CHEMBL3745885)
Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human TTBK2 using MBP substrate


Bioorg Med Chem 24: 521-44 (2016)


Article DOI: 10.1016/j.bmc.2015.11.045
BindingDB Entry DOI: 10.7270/Q24Q7WT8
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602927
PNG
(CHEMBL5193908)
Show SMILES O=C(c1ccccc1)c1ccc(Nc2ncnc3[nH]ccc23)cc1
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n/an/a 1.19E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602902
PNG
(CHEMBL5208571)
Show SMILES CCOc1ccc(Nc2ncnc3[nH]ccc23)cc1
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n/an/a 1.37E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602894
PNG
(CHEMBL5186604)
Show SMILES Clc1cccc(Nc2ncnc3[nH]ccc23)c1
PDB

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n/an/a 1.39E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602890
PNG
(CHEMBL5198629)
Show SMILES C1CN(CCO1)c1ccc(Nc2ncnc3[nH]ccc23)cc1
PDB

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n/an/a 1.57E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
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