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Compile Data Set for Download or QSAR

Found 102 hits Enz. Inhib. hit(s) with all data for entry = 50017573   
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-tubulin kinase 1


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

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n/an/a 1.60n/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))
BDBM50602886
PNG
(CHEMBL5182036)
Show SMILES CC[C@@](C)(O)C#Cc1cc2n(ccc2cn1)-c1cc(OC)nc(N)n1 |r|
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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 1


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

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n/an/a 120n/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))
BDBM50602885
PNG
(CHEMBL5193906)
Show SMILES CC1(N)CCN(Cc2ccn3ncnc(Nc4cc(O)cc(Br)c4)c23)CC1
PDB

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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 1


(Homo sapiens (Human))
BDBM50602904
PNG
(CHEMBL5204869)
Show SMILES Clc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1
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n/an/a 240n/an/an/an/an/an/a


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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 1


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

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n/an/a 330n/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 1


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

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n/an/a 340n/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 1


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

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n/an/a 360n/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 1


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

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n/an/a 370n/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 1


(Homo sapiens (Human))
BDBM50602921
PNG
(CHEMBL5180098)
Show SMILES Nc1nc(Nc2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)c2cc[nH]c2n1
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n/an/a 380n/an/an/an/an/an/a


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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 1


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

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n/an/a 390n/an/an/an/an/an/a


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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 1


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

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n/an/a 390n/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 1


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

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n/an/a 420n/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 1


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

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n/an/a 440n/an/an/an/an/an/a


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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 1


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

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n/an/a 450n/an/an/an/an/an/a


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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 1


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

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n/an/a 480n/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))
BDBM50602917
PNG
(CHEMBL5200069)
Show SMILES Clc1ccccc1Oc1ccc(Nc2ncnc3[nH]ccc23)cc1
PDB

UniProtKB/SwissProt

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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 1


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

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n/an/a 520n/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 1


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

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n/an/a 520n/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 1


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

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n/an/a 610n/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 1


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

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n/an/a 650n/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 1


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

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n/an/a 750n/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 1


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

UniProtKB/SwissProt

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n/an/a 750n/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 1


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

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n/an/a 750n/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 1


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

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n/an/a 770n/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 1


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

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n/an/a 790n/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 1


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

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n/an/a 840n/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))
BDBM50602903
PNG
(CHEMBL5198544)
Show SMILES N(c1ccc(Oc2ccccc2)cc1)c1ncnc2[nH]ccc12
PDB

UniProtKB/SwissProt

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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

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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 1


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

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n/an/a 990n/an/an/an/an/an/a


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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 1


(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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Article
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n/an/a 1.00E+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 1


(Homo sapiens (Human))
BDBM50602912
PNG
(CHEMBL5179559)
Show SMILES Cc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1
PDB

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n/an/a 1.02E+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))
BDBM50602926
PNG
(CHEMBL5200160 | US11814388, Compound 9)
Show SMILES C(Oc1ccc(Nc2ncnc3[nH]ccc23)cc1)c1ccccc1
PDB

UniProtKB/SwissProt

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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

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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

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Article
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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

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PDB
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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 1


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

UniProtKB/SwissProt

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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 1


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

UniProtKB/SwissProt

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Article
PubMed
n/an/a 1.50E+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 1


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

UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a 1.50E+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 1


(Homo sapiens (Human))
BDBM50602914
PNG
(CHEMBL5192144)
Show SMILES Clc1cccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)c1
PDB

UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a 1.55E+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 1


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

UniProtKB/SwissProt

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PubMed
n/an/a 1.58E+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))
BDBM50602899
PNG
(CHEMBL5207783)
Show SMILES N(c1ccccc1)c1ncnc2[nH]ccc12
PDB

UniProtKB/SwissProt

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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 1


(Homo sapiens (Human))
BDBM50602927
PNG
(CHEMBL5193908)
Show SMILES O=C(c1ccccc1)c1ccc(Nc2ncnc3[nH]ccc23)cc1
PDB

UniProtKB/SwissProt

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n/an/a 1.71E+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

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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

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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

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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 1


(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

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PDB
Article
PubMed
n/an/a 2.20E+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
3D
3D Structure (crystal)
Tau-tubulin kinase 1


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

UniProtKB/SwissProt

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Article
PubMed
n/an/a 2.20E+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 1


(Homo sapiens (Human))
BDBM50602902
PNG
(CHEMBL5208571)
Show SMILES CCOc1ccc(Nc2ncnc3[nH]ccc23)cc1
PDB

UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a 2.30E+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 1


(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 2.30E+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
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