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Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'van bruggen' and Initial = 'w'   
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
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557619
PNG
(CHEMBL4796239)
Show SMILES CNC(=O)[C@@H](C)N(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1Cc2ccc(cc2C1)C(N)=O |r|
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557620
PNG
(CHEMBL4752978)
Show SMILES CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1Cc2ccc(cc2C1)C(N)=O
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50438317
PNG
(CHEMBL2408611)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(Cl)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(28,-9.67,;29.47,-9.2,;30.61,-10.23,;32.07,-9.75,;32.39,-8.26,;33.86,-7.78,;34.33,-6.31,;35.87,-6.31,;36.35,-7.78,;35.1,-8.68,;37.81,-8.25,;38.13,-9.77,;39.58,-10.25,;40.73,-9.22,;42.2,-9.7,;40.42,-7.71,;38.95,-7.23,;31.26,-7.23,;31.25,-5.69,;32.5,-4.79,;29.79,-5.22,;28.89,-6.46,;29.79,-7.7,;29.32,-3.75,;30.36,-2.61,;29.89,-1.15,;28.39,-.82,;27.35,-1.96,;25.81,-1.96,;25.33,-3.42,;26.58,-4.33,;27.82,-3.43,)|
Show InChI InChI=1S/C22H19ClN6O2S/c23-18-17-15(11-8-26-29(10-11)12-4-6-13(30)7-5-12)9-25-22(24)20(17)31-19(18)14-2-1-3-16-21(14)32-28-27-16/h1-3,8-10,12-13,30H,4-7H2,(H2,24,25)/t12-,13-
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50187111
PNG
(CHEMBL3823738)
Show SMILES CC(C)Oc1c(NC(=O)c2csc3c2nc[nH]c3=O)cccc1C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H25N5O4S/c1-13(2)31-18-14(22(30)27-9-7-26(3)8-10-27)5-4-6-16(18)25-20(28)15-11-32-19-17(15)23-12-24-21(19)29/h4-6,11-13H,7-10H2,1-3H3,(H,25,28)(H,23,24,29)
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n/an/a 30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 39n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557622
PNG
(CHEMBL4786426)
Show SMILES CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1Cc2ccccc2C1
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n/an/a 300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557633
PNG
(CHEMBL4795442)
Show SMILES CNC(=O)[C@@H](C)N(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1CCCC1 |r|
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n/an/a 300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557636
PNG
(CHEMBL4799816)
Show SMILES CNC(=O)C(C)N(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1CCCC1
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n/an/a 500n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557627
PNG
(CHEMBL4793594)
Show SMILES CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1CCC(C)C1
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n/an/a 900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557647
PNG
(CHEMBL4743586)
Show SMILES NC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(c1)C(=O)N1CCCC1
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n/an/a 900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557635
PNG
(CHEMBL4753680)
Show SMILES CCC(N(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1CCCC1)C(=O)NC
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n/an/a 1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557626
PNG
(CHEMBL4754286)
Show SMILES CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1CCC(F)C1
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557630
PNG
(CHEMBL4784347)
Show SMILES CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1CCCCC1
PDB

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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557613
PNG
(CHEMBL4787765)
Show SMILES CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(c1)C(=O)N1CCCC1
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n/an/a 1.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557644
PNG
(CHEMBL4748960)
Show SMILES CC(C)NC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(c1)C(=O)N1CCCC1
PDB

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n/an/a 1.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557616
PNG
(CHEMBL4742800)
Show SMILES CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(c1)C(=O)N1CCCCC1
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n/an/a 1.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557618
PNG
(CHEMBL4787363)
Show SMILES CNC(=O)CN(Cc1cccc2[nH]ccc12)C(=O)c1c[nH]c(c1)C(=O)N1CCCC1
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n/an/a 1.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557625
PNG
(CHEMBL4764405)
Show SMILES CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1CCC(C1)c1ccccc1
PDB

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n/an/a 2.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557646
PNG
(CHEMBL4760000)
Show SMILES CCOc1ccccc1CN(CC(=O)NC)C(=O)c1c[nH]c(c1)C(=O)N1CCCC1
PDB

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n/an/a 2.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557631
PNG
(CHEMBL4790917)
Show SMILES CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1CCC1
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n/an/a 2.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557649
PNG
(CHEMBL4779445)
Show SMILES CNC(=O)CN(Cc1ccccc1OC)C(=O)c1c[nH]c(c1)C(=O)N1CCCC1
PDB

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n/an/a 2.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557629
PNG
(CHEMBL4742896)
Show SMILES CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1CCCCCC1
PDB

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n/an/a 2.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557648
PNG
(CHEMBL4758712)
Show SMILES FC(F)Oc1ccccc1CN(Cc1ncco1)C(=O)c1c[nH]c(c1)C(=O)N1CCCC1
PDB

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n/an/a 3.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557621
PNG
(CHEMBL4740886)
Show SMILES CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1CC2CCCCC2C1
PDB

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n/an/a 3.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557617
PNG
(CHEMBL4776433)
Show SMILES CNC(=O)CN(Cc1cccc2OCCCOc12)C(=O)c1c[nH]c(c1)C(=O)N1CCCC1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
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PC sid
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n/an/a 3.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557645
PNG
(CHEMBL4785659)
Show SMILES CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(c1)C(=O)N1CCCC1
PDB

UniProtKB/SwissProt

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n/an/a 3.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557632
PNG
(CHEMBL4760703)
Show SMILES CNC(=O)[C@H](C)N(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1CCCC1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 4.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557628
PNG
(CHEMBL4785897)
Show SMILES CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1CCCC1C
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 5.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557624
PNG
(CHEMBL4781976)
Show SMILES CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1CCC(C1)OC
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557637
PNG
(CHEMBL4789883)
Show SMILES CNC(=O)CN(Cc1c(Cl)cccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1CCCC1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
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PC sid
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557640
PNG
(CHEMBL4763081)
Show SMILES CNC(=O)CN(Cc1cc(F)ccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1CCCC1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557614
PNG
(CHEMBL4746806)
Show SMILES CNC(=O)CN(C(C)c1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1CCCC1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
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PC cid
PC sid
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557609
PNG
(CHEMBL4785563)
Show SMILES CNC(=O)CN(Cc1ccccc1)C(=O)c1c[nH]c(n1)C(=O)N1CCCC1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
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PC cid
PC sid
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Article
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557641
PNG
(CHEMBL4778091)
Show SMILES CNC(=O)CN(Cc1ccc(OC)cc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1CCCC1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
Article
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557643
PNG
(CHEMBL4751348)
Show SMILES CNC(=O)CN(Cc1cccc(OC(F)F)c1)C(=O)c1c[nH]c(n1)C(=O)N1CCCC1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
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PC cid
PC sid
UniChem
Article
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557639
PNG
(CHEMBL4762449)
Show SMILES CNC(=O)CN(Cc1cc(Cl)ccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1CCCC1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
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PC cid
PC sid
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Article
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557638
PNG
(CHEMBL4746405)
Show SMILES CNC(=O)CN(Cc1c(F)cccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1CCCC1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557642
PNG
(CHEMBL4763783)
Show SMILES CNC(=O)CN(Cc1cccc(OC)c1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1CCCC1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557623
PNG
(CHEMBL4777281)
Show SMILES CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1CCC(C1)NC(C)=O
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
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Article
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557634
PNG
(CHEMBL4741059)
Show SMILES CNC(=O)C(C(C)C)N(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1CCCC1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
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PC sid
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Article
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557612
PNG
(CHEMBL4758714)
Show SMILES CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(c1)C(=O)N(C)C
PDB

UniProtKB/SwissProt

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n/an/a 2.60E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557611
PNG
(CHEMBL4750042)
Show SMILES CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1cc([nH]n1)C(=O)N1CCCC1
PDB

UniProtKB/SwissProt

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n/an/a 5.90E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557610
PNG
(CHEMBL4792942)
Show SMILES CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1cc(C(=O)N2CCCC2)n(C)c1
PDB

UniProtKB/SwissProt

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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50557615
PNG
(CHEMBL4763165)
Show SMILES CCNC(=O)c1cc(c[nH]1)C(=O)N(CC(=O)NC)Cc1ccccc1OC(F)F
PDB

UniProtKB/SwissProt

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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM50557650
PNG
(CHEMBL4779479)
Show SMILES CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1CCCC1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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n/an/an/a 55n/an/an/an/an/a


TBA

Assay Description
Binding affinity to wild-type human partial length TAK1 (M1 to Q303 residues) expressed in mammalian expression system by Kinomescan method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00547
BindingDB Entry DOI: 10.7270/Q20005S0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)