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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 249.2
BDBM50154592
Purchase
Wt: 233.2
BDBM254943
Wt: 242.2
BDBM254945
Wt: 242.2
BDBM254946
Wt: 259.3
BDBM254947
Wt: 260.2
BDBM254948
Wt: 258.2
BDBM254962
Wt: 260.2
BDBM254963
Wt: 246.2
BDBM254964
Wt: 246.2
BDBM254965
Wt: 260.2
BDBM254971
Wt: 242.2
BDBM254973
Wt: 253.2
BDBM50191789
Wt: 216.2
BDBM254942
Wt: 260.2
BDBM50191938
Displayed 1 to 15 (of 143 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 16 hits in this display   
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 interacting protein 1


(Homo sapiens (Human))
BDBM254948
PNG
(US9505765, 38)
Show SMILES CC(C)COc1ncnc2[nH]cc(\C=C\C(N)=O)c12
Show InChI InChI=1S/C13H16N4O2/c1-8(2)6-19-13-11-9(3-4-10(14)18)5-15-12(11)16-7-17-13/h3-5,7-8H,6H2,1-2H3,(H2,14,18)(H,15,16,17)/b4-3+
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UniProtKB/SwissProt

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n/an/a 3.10n/an/an/an/an/an/a



CONFLUENCE LIFE SCIENCES INC.

US Patent


Assay Description
TAK1-TAB1 Binding Inhibitory Potency: The ability of candidate compounds to interact with TAK1-TAB1 is quantitated by a competitive binding assay usi...


US Patent US9505765 (2016)


BindingDB Entry DOI: 10.7270/Q2T43S1J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM254963
PNG
(US9505765, 187)
Show SMILES CCC(C)Oc1ncnc2[nH]cc(\C=C\C(N)=O)c12
Show InChI InChI=1S/C13H16N4O2/c1-3-8(2)19-13-11-9(4-5-10(14)18)6-15-12(11)16-7-17-13/h4-8H,3H2,1-2H3,(H2,14,18)(H,15,16,17)/b5-4+
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n/an/a 4.30n/an/an/an/an/an/a



CONFLUENCE LIFE SCIENCES INC.

US Patent


Assay Description
TAK1-TAB1 Binding Inhibitory Potency: The ability of candidate compounds to interact with TAK1-TAB1 is quantitated by a competitive binding assay usi...


US Patent US9505765 (2016)


BindingDB Entry DOI: 10.7270/Q2T43S1J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM254964
PNG
(US9505765, 188)
Show SMILES CC(C)Oc1ncnc2[nH]cc(\C=C\C(N)=O)c12
Show InChI InChI=1S/C12H14N4O2/c1-7(2)18-12-10-8(3-4-9(13)17)5-14-11(10)15-6-16-12/h3-7H,1-2H3,(H2,13,17)(H,14,15,16)/b4-3+
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n/an/a 4.40n/an/an/an/an/an/a



CONFLUENCE LIFE SCIENCES INC.

US Patent


Assay Description
TAK1-TAB1 Binding Inhibitory Potency: The ability of candidate compounds to interact with TAK1-TAB1 is quantitated by a competitive binding assay usi...


US Patent US9505765 (2016)


BindingDB Entry DOI: 10.7270/Q2T43S1J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM254962
PNG
(US9505765, 186)
Show SMILES CC(C)COc1ncnc2[nH]cc(C#CC(N)=O)c12
Show InChI InChI=1S/C13H14N4O2/c1-8(2)6-19-13-11-9(3-4-10(14)18)5-15-12(11)16-7-17-13/h5,7-8H,6H2,1-2H3,(H2,14,18)(H,15,16,17)
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n/an/a 7n/an/an/an/an/an/a



CONFLUENCE LIFE SCIENCES INC.

US Patent


Assay Description
TAK1-TAB1 Binding Inhibitory Potency: The ability of candidate compounds to interact with TAK1-TAB1 is quantitated by a competitive binding assay usi...


US Patent US9505765 (2016)


BindingDB Entry DOI: 10.7270/Q2T43S1J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM254971
PNG
(US9505765, 195)
Show SMILES CC(C)(C)Oc1ncnc2[nH]cc(\C=C\C(N)=O)c12
Show InChI InChI=1S/C13H16N4O2/c1-13(2,3)19-12-10-8(4-5-9(14)18)6-15-11(10)16-7-17-12/h4-7H,1-3H3,(H2,14,18)(H,15,16,17)/b5-4+
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n/an/a 13n/an/an/an/an/an/a



CONFLUENCE LIFE SCIENCES INC.

US Patent


Assay Description
TAK1-TAB1 Binding Inhibitory Potency: The ability of candidate compounds to interact with TAK1-TAB1 is quantitated by a competitive binding assay usi...


US Patent US9505765 (2016)


BindingDB Entry DOI: 10.7270/Q2T43S1J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM254965
PNG
(US9505765, 189)
Show SMILES CCCOc1ncnc2[nH]cc(\C=C\C(N)=O)c12
Show InChI InChI=1S/C12H14N4O2/c1-2-5-18-12-10-8(3-4-9(13)17)6-14-11(10)15-7-16-12/h3-4,6-7H,2,5H2,1H3,(H2,13,17)(H,14,15,16)/b4-3+
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n/an/a 19n/an/an/an/an/an/a



CONFLUENCE LIFE SCIENCES INC.

US Patent


Assay Description
TAK1-TAB1 Binding Inhibitory Potency: The ability of candidate compounds to interact with TAK1-TAB1 is quantitated by a competitive binding assay usi...


US Patent US9505765 (2016)


BindingDB Entry DOI: 10.7270/Q2T43S1J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM254947
PNG
(US9505765, 37)
Show SMILES CC(C)COc1ncnc2[nH]cc(\C=C\C(C)=O)c12
Show InChI InChI=1S/C14H17N3O2/c1-9(2)7-19-14-12-11(5-4-10(3)18)6-15-13(12)16-8-17-14/h4-6,8-9H,7H2,1-3H3,(H,15,16,17)/b5-4+
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n/an/a 100n/an/an/an/an/an/a



CONFLUENCE LIFE SCIENCES INC.

US Patent


Assay Description
TAK1-TAB1 Binding Inhibitory Potency: The ability of candidate compounds to interact with TAK1-TAB1 is quantitated by a competitive binding assay usi...


US Patent US9505765 (2016)


BindingDB Entry DOI: 10.7270/Q2T43S1J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM254946
PNG
(US9505765, 36)
Show SMILES CC(C)COc1ncnc2[nH]cc(\C=C/C#N)c12
Show InChI InChI=1S/C13H14N4O/c1-9(2)7-18-13-11-10(4-3-5-14)6-15-12(11)16-8-17-13/h3-4,6,8-9H,7H2,1-2H3,(H,15,16,17)/b4-3-
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CONFLUENCE LIFE SCIENCES INC.

US Patent


Assay Description
TAK1-TAB1 Binding Inhibitory Potency: The ability of candidate compounds to interact with TAK1-TAB1 is quantitated by a competitive binding assay usi...


US Patent US9505765 (2016)


BindingDB Entry DOI: 10.7270/Q2T43S1J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM254945
PNG
(US9505765, 35)
Show SMILES CC(C)COc1ncnc2[nH]cc(\C=C\C#N)c12
Show InChI InChI=1S/C13H14N4O/c1-9(2)7-18-13-11-10(4-3-5-14)6-15-12(11)16-8-17-13/h3-4,6,8-9H,7H2,1-2H3,(H,15,16,17)/b4-3+
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n/an/a 210n/an/an/an/an/an/a



CONFLUENCE LIFE SCIENCES INC.

US Patent


Assay Description
TAK1-TAB1 Binding Inhibitory Potency: The ability of candidate compounds to interact with TAK1-TAB1 is quantitated by a competitive binding assay usi...


US Patent US9505765 (2016)


BindingDB Entry DOI: 10.7270/Q2T43S1J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM254942
PNG
(US9505765, 1)
Show SMILES CC(C)COc1ncnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C11H12N4O/c1-7(2)5-16-11-9-8(3-12)4-13-10(9)14-6-15-11/h4,6-7H,5H2,1-2H3,(H,13,14,15)
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CONFLUENCE LIFE SCIENCES INC.

US Patent


Assay Description
TAK1-TAB1 Binding Inhibitory Potency: The ability of candidate compounds to interact with TAK1-TAB1 is quantitated by a competitive binding assay usi...


US Patent US9505765 (2016)


BindingDB Entry DOI: 10.7270/Q2T43S1J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM254973
PNG
(US9505765, 197)
Show SMILES CC(C)COc1ncnc2[nH]cc(C(=C)C#N)c12
Show InChI InChI=1S/C13H14N4O/c1-8(2)6-18-13-11-10(9(3)4-14)5-15-12(11)16-7-17-13/h5,7-8H,3,6H2,1-2H3,(H,15,16,17)
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n/an/a 750n/an/an/an/an/an/a



CONFLUENCE LIFE SCIENCES INC.

US Patent


Assay Description
TAK1-TAB1 Binding Inhibitory Potency: The ability of candidate compounds to interact with TAK1-TAB1 is quantitated by a competitive binding assay usi...


US Patent US9505765 (2016)


BindingDB Entry DOI: 10.7270/Q2T43S1J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM254943
PNG
(US9505765, 21)
Show SMILES CC(C)COc1ncnc2[nH]cc(C(C)=O)c12
Show InChI InChI=1S/C12H15N3O2/c1-7(2)5-17-12-10-9(8(3)16)4-13-11(10)14-6-15-12/h4,6-7H,5H2,1-3H3,(H,13,14,15)
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n/an/a 1.70E+3n/an/an/an/an/an/a



CONFLUENCE LIFE SCIENCES INC.

US Patent


Assay Description
TAK1-TAB1 Binding Inhibitory Potency: The ability of candidate compounds to interact with TAK1-TAB1 is quantitated by a competitive binding assay usi...


US Patent US9505765 (2016)


BindingDB Entry DOI: 10.7270/Q2T43S1J
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154592
PNG
(3-(2-Oxo-2-phenyl-ethylidene)-1,3-dihydro-indol-2-...)
Show SMILES O=C(\C=C1/C(=O)Nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C16H11NO2/c18-15(11-6-2-1-3-7-11)10-13-12-8-4-5-9-14(12)17-16(13)19/h1-10H,(H,17,19)/b13-10-
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Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cyclin-dependent kinase


J Med Chem 47: 5418-26 (2004)


Article DOI: 10.1021/jm040108f
BindingDB Entry DOI: 10.7270/Q2BZ66TW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50191789
PNG
(CHEMBL1761746)
Show SMILES Oc1ccc(\C=C2\C(=O)Nc3ccccc23)cc1O
Show InChI InChI=1S/C15H11NO3/c17-13-6-5-9(8-14(13)18)7-11-10-3-1-2-4-12(10)16-15(11)19/h1-8,17-18H,(H,16,19)/b11-7+
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n/an/a>5.00E+3n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant TAK1-TAB1 assessed as [33P]gamma-ATP incorporation into substrate histone H1 peptide by filter plate assay


Bioorg Med Chem Lett 21: 1724-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.077
BindingDB Entry DOI: 10.7270/Q2988794
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50191938
PNG
(CHEMBL1761730)
Show SMILES O=C1CS\C(N1)=N/N=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C11H8N4O2S/c16-8-5-18-11(13-8)15-14-9-6-3-1-2-4-7(6)12-10(9)17/h1-4H,5H2,(H,12,14,17)(H,13,15,16)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant TAK1-TAB1 assessed as [33P]gamma-ATP incorporation into substrate histone H1 peptide by filter plate assay


Bioorg Med Chem Lett 21: 1724-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.077
BindingDB Entry DOI: 10.7270/Q2988794
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50154592
PNG
(3-(2-Oxo-2-phenyl-ethylidene)-1,3-dihydro-indol-2-...)
Show SMILES O=C(\C=C1/C(=O)Nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C16H11NO2/c18-15(11-6-2-1-3-7-11)10-13-12-8-4-5-9-14(12)17-16(13)19/h1-10H,(H,17,19)/b13-10-
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PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant TAK1-TAB1 assessed as [33P]gamma-ATP incorporation into substrate histone H1 peptide by filter plate assay


Bioorg Med Chem Lett 21: 1724-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.077
BindingDB Entry DOI: 10.7270/Q2988794
More data for this
Ligand-Target Pair