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PubMed code 27502541

Compile data set for download or QSAR
Found 49 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
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191770
PNG
(CHEMBL3912476)
Show SMILES C[C@H](CN1CCOCC1)Nc1ccc2cc(ccc2n1)-n1cnc2cnc3cnc(cc3c12)-c1ccncc1 |r|
Show InChI InChI=1/C30H28N8O/c1-20(18-37-10-12-39-13-11-37)35-29-5-2-22-14-23(3-4-25(22)36-29)38-19-34-28-17-33-27-16-32-26(15-24(27)30(28)38)21-6-8-31-9-7-21/h2-9,14-17,19-20H,10-13,18H2,1H3,(H,35,36)/t20-/s2
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n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191681
PNG
(CHEMBL3939592)
Show SMILES CC(CN1CCOCC1)Nc1ccc2cc(ccc2n1)-n1cnc2cnc3cnc(cc3c12)-c1ccncc1
Show InChI InChI=1/C30H28N8O/c1-20(18-37-10-12-39-13-11-37)35-29-5-2-22-14-23(3-4-25(22)36-29)38-19-34-28-17-33-27-16-32-26(15-24(27)30(28)38)21-6-8-31-9-7-21/h2-9,14-17,19-20H,10-13,18H2,1H3,(H,35,36)
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191771
PNG
(CHEMBL3890505)
Show SMILES CC(CN1CCOCC1)Nc1nc2ccc(cc2s1)-n1cnc2cnc3cnc(cc3c12)-c1ccncc1
Show InChI InChI=1/C28H26N8OS/c1-18(16-35-8-10-37-11-9-35)33-28-34-22-3-2-20(12-26(22)38-28)36-17-32-25-15-31-24-14-30-23(13-21(24)27(25)36)19-4-6-29-7-5-19/h2-7,12-15,17-18H,8-11,16H2,1H3,(H,33,34)
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n/an/a 9n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191769
PNG
(CHEMBL3927501)
Show SMILES CC(CN1CCOCC1)Nc1nc2ccc(cc2s1)-n1cnc2cnc3cnc(cc3c12)-c1ccccc1
Show InChI InChI=1/C29H27N7OS/c1-19(17-35-9-11-37-12-10-35)33-29-34-23-8-7-21(13-27(23)38-29)36-18-32-26-16-31-25-15-30-24(14-22(25)28(26)36)20-5-3-2-4-6-20/h2-8,13-16,18-19H,9-12,17H2,1H3,(H,33,34)
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n/an/a 9n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191774
PNG
(CHEMBL3899461)
Show SMILES C(CN1CCOCC1)Nc1nc2ccc(cc2s1)-n1cnc2cnc3cnc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C28H25N7OS/c1-2-4-19(5-3-1)23-15-21-24(16-30-23)31-17-25-27(21)35(18-32-25)20-6-7-22-26(14-20)37-28(33-22)29-8-9-34-10-12-36-13-11-34/h1-7,14-18H,8-13H2,(H,29,33)
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n/an/a 16n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191677
PNG
(CHEMBL3910848)
Show SMILES c1cc(cs1)-c1cc2c3n(cnc3cnc2cn1)-c1ccc2ncccc2c1
Show InChI InChI=1S/C22H13N5S/c1-2-14-8-16(3-4-18(14)23-6-1)27-13-26-21-11-25-20-10-24-19(9-17(20)22(21)27)15-5-7-28-12-15/h1-13H
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n/an/a 20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191676
PNG
(CHEMBL3918552)
Show SMILES CC(CN1CCOCC1)Nc1nc2ccc(cc2s1)-n1cnc2cnc3cnc(cc3c12)-c1cccs1
Show InChI InChI=1/C27H25N7OS2/c1-17(15-33-6-8-35-9-7-33)31-27-32-20-5-4-18(11-25(20)37-27)34-16-30-23-14-29-22-13-28-21(12-19(22)26(23)34)24-3-2-10-36-24/h2-5,10-14,16-17H,6-9,15H2,1H3,(H,31,32)
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n/an/a 22n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191770
PNG
(CHEMBL3912476)
Show SMILES C[C@H](CN1CCOCC1)Nc1ccc2cc(ccc2n1)-n1cnc2cnc3cnc(cc3c12)-c1ccncc1 |r|
Show InChI InChI=1/C30H28N8O/c1-20(18-37-10-12-39-13-11-37)35-29-5-2-22-14-23(3-4-25(22)36-29)38-19-34-28-17-33-27-16-32-26(15-24(27)30(28)38)21-6-8-31-9-7-21/h2-9,14-17,19-20H,10-13,18H2,1H3,(H,35,36)/t20-/s2
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of COT in LPS-stimulated human PBMC assessed as reduction in TNFalpha release incubated for 1 hr followed by stimulation with LPS for 4 hr...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191770
PNG
(CHEMBL3912476)
Show SMILES C[C@H](CN1CCOCC1)Nc1ccc2cc(ccc2n1)-n1cnc2cnc3cnc(cc3c12)-c1ccncc1 |r|
Show InChI InChI=1/C30H28N8O/c1-20(18-37-10-12-39-13-11-37)35-29-5-2-22-14-23(3-4-25(22)36-29)38-19-34-28-17-33-27-16-32-26(15-24(27)30(28)38)21-6-8-31-9-7-21/h2-9,14-17,19-20H,10-13,18H2,1H3,(H,35,36)/t20-/s2
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of COT in LPS-stimulated human PBMC assessed as reduction in ERK1/2 phosphorylation incubated for 60 mins followed by LPS stimulation for ...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191776
PNG
(CHEMBL3944315)
Show SMILES C[C@@H](CN1CCOCC1)Nc1ccc2cc(ccc2n1)-n1cnc2cnc3cnc(cc3c12)-c1ccncc1 |r|
Show InChI InChI=1/C30H28N8O/c1-20(18-37-10-12-39-13-11-37)35-29-5-2-22-14-23(3-4-25(22)36-29)38-19-34-28-17-33-27-16-32-26(15-24(27)30(28)38)21-6-8-31-9-7-21/h2-9,14-17,19-20H,10-13,18H2,1H3,(H,35,36)/t20-/s2
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n/an/a 38n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191782
PNG
(CHEMBL3980906)
Show SMILES c1cc(cs1)-c1cc2c3n(cnc3cnc2cn1)-c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C20H12N6S/c1-2-15-17(24-10-23-15)5-13(1)26-11-25-19-8-22-18-7-21-16(6-14(18)20(19)26)12-3-4-27-9-12/h1-11H,(H,23,24)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191775
PNG
(CHEMBL3937721)
Show SMILES N#CCc1ccc(cc1)-n1cnc2cnc3cnc(cc3c12)-c1ccsc1
Show InChI InChI=1S/C21H13N5S/c22-7-5-14-1-3-16(4-2-14)26-13-25-20-11-24-19-10-23-18(9-17(19)21(20)26)15-6-8-27-12-15/h1-4,6,8-13H,5H2
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n/an/a 50n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191681
PNG
(CHEMBL3939592)
Show SMILES CC(CN1CCOCC1)Nc1ccc2cc(ccc2n1)-n1cnc2cnc3cnc(cc3c12)-c1ccncc1
Show InChI InChI=1/C30H28N8O/c1-20(18-37-10-12-39-13-11-37)35-29-5-2-22-14-23(3-4-25(22)36-29)38-19-34-28-17-33-27-16-32-26(15-24(27)30(28)38)21-6-8-31-9-7-21/h2-9,14-17,19-20H,10-13,18H2,1H3,(H,35,36)
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n/an/a 60n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of COT in LPS-stimulated human PBMC assessed as reduction in TNFalpha release incubated for 1 hr followed by stimulation with LPS for 4 hr...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191681
PNG
(CHEMBL3939592)
Show SMILES CC(CN1CCOCC1)Nc1ccc2cc(ccc2n1)-n1cnc2cnc3cnc(cc3c12)-c1ccncc1
Show InChI InChI=1/C30H28N8O/c1-20(18-37-10-12-39-13-11-37)35-29-5-2-22-14-23(3-4-25(22)36-29)38-19-34-28-17-33-27-16-32-26(15-24(27)30(28)38)21-6-8-31-9-7-21/h2-9,14-17,19-20H,10-13,18H2,1H3,(H,35,36)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of COT in LPS-stimulated human PBMC assessed as reduction in ERK1/2 phosphorylation incubated for 60 mins followed by LPS stimulation for ...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191771
PNG
(CHEMBL3890505)
Show SMILES CC(CN1CCOCC1)Nc1nc2ccc(cc2s1)-n1cnc2cnc3cnc(cc3c12)-c1ccncc1
Show InChI InChI=1/C28H26N8OS/c1-18(16-35-8-10-37-11-9-35)33-28-34-22-3-2-20(12-26(22)38-28)36-17-32-25-15-31-24-14-30-23(13-21(24)27(25)36)19-4-6-29-7-5-19/h2-7,12-15,17-18H,8-11,16H2,1H3,(H,33,34)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of COT in LPS-stimulated human PBMC assessed as reduction in TNFalpha release incubated for 1 hr followed by stimulation with LPS for 4 hr...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191770
PNG
(CHEMBL3912476)
Show SMILES C[C@H](CN1CCOCC1)Nc1ccc2cc(ccc2n1)-n1cnc2cnc3cnc(cc3c12)-c1ccncc1 |r|
Show InChI InChI=1/C30H28N8O/c1-20(18-37-10-12-39-13-11-37)35-29-5-2-22-14-23(3-4-25(22)36-29)38-19-34-28-17-33-27-16-32-26(15-24(27)30(28)38)21-6-8-31-9-7-21/h2-9,14-17,19-20H,10-13,18H2,1H3,(H,35,36)/t20-/s2
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of COT in LPS-stimulated human whole blood assessed as reduction in TNFalpha release incubated for 30 mins followed by stimulation with LP...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191771
PNG
(CHEMBL3890505)
Show SMILES CC(CN1CCOCC1)Nc1nc2ccc(cc2s1)-n1cnc2cnc3cnc(cc3c12)-c1ccncc1
Show InChI InChI=1/C28H26N8OS/c1-18(16-35-8-10-37-11-9-35)33-28-34-22-3-2-20(12-26(22)38-28)36-17-32-25-15-31-24-14-30-23(13-21(24)27(25)36)19-4-6-29-7-5-19/h2-7,12-15,17-18H,8-11,16H2,1H3,(H,33,34)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of COT in LPS-stimulated human PBMC assessed as reduction in ERK1/2 phosphorylation incubated for 60 mins followed by LPS stimulation for ...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191772
PNG
(CHEMBL3936462)
Show SMILES Cc1nc2ccc(cc2s1)-n1cnc2cnc3cnc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C23H15N5S/c1-14-27-18-8-7-16(9-22(18)29-14)28-13-26-21-12-25-20-11-24-19(10-17(20)23(21)28)15-5-3-2-4-6-15/h2-13H,1H3
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191784
PNG
(CHEMBL3919207)
Show SMILES c1nc2ccc(cc2[nH]1)-n1cnc2cnc3cnc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C22H14N6/c1-2-4-14(5-3-1)18-9-16-20(10-23-18)24-11-21-22(16)28(13-27-21)15-6-7-17-19(8-15)26-12-25-17/h1-13H,(H,25,26)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191773
PNG
(CHEMBL3908516)
Show SMILES c1nc2cnc3cnc(cc3c2n1-c1ccc2ncccc2c1)-c1ccccc1
Show InChI InChI=1S/C24H15N5/c1-2-5-16(6-3-1)21-12-19-22(13-26-21)27-14-23-24(19)29(15-28-23)18-8-9-20-17(11-18)7-4-10-25-20/h1-15H
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191779
PNG
(CHEMBL3966844)
Show SMILES c1nc2ccc(cc2[nH]1)-n1cnc2cnc3cnc(cc3c12)-c1ccncc1
Show InChI InChI=1S/C21H13N7/c1-2-16-18(26-11-25-16)7-14(1)28-12-27-20-10-24-19-9-23-17(8-15(19)21(20)28)13-3-5-22-6-4-13/h1-12H,(H,25,26)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191769
PNG
(CHEMBL3927501)
Show SMILES CC(CN1CCOCC1)Nc1nc2ccc(cc2s1)-n1cnc2cnc3cnc(cc3c12)-c1ccccc1
Show InChI InChI=1/C29H27N7OS/c1-19(17-35-9-11-37-12-10-35)33-29-34-23-8-7-21(13-27(23)38-29)36-18-32-26-16-31-25-15-30-24(14-22(25)28(26)36)20-5-3-2-4-6-20/h2-8,13-16,18-19H,9-12,17H2,1H3,(H,33,34)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of COT in LPS-stimulated human PBMC assessed as reduction in ERK1/2 phosphorylation incubated for 60 mins followed by LPS stimulation for ...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191769
PNG
(CHEMBL3927501)
Show SMILES CC(CN1CCOCC1)Nc1nc2ccc(cc2s1)-n1cnc2cnc3cnc(cc3c12)-c1ccccc1
Show InChI InChI=1/C29H27N7OS/c1-19(17-35-9-11-37-12-10-35)33-29-34-23-8-7-21(13-27(23)38-29)36-18-32-26-16-31-25-15-30-24(14-22(25)28(26)36)20-5-3-2-4-6-20/h2-8,13-16,18-19H,9-12,17H2,1H3,(H,33,34)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of COT in LPS-stimulated human PBMC assessed as reduction in TNFalpha release incubated for 1 hr followed by stimulation with LPS for 4 hr...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191780
PNG
(CHEMBL3928098)
Show SMILES c1nc2ccc(cc2[nH]1)-n1cnc2cnc3cnc(cc3c12)-c1cn[nH]c1
Show InChI InChI=1S/C19H12N8/c1-2-14-16(23-9-22-14)3-12(1)27-10-24-18-8-21-17-7-20-15(4-13(17)19(18)27)11-5-25-26-6-11/h1-10H,(H,22,23)(H,25,26)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191783
PNG
(CHEMBL3955726)
Show SMILES c1nc2ccc(cc2[nH]1)-n1cnc2cnc3cnc(cc3c12)-c1cnsc1
Show InChI InChI=1S/C19H11N7S/c1-2-14-16(23-9-22-14)3-12(1)26-10-24-18-7-21-17-6-20-15(4-13(17)19(18)26)11-5-25-27-8-11/h1-10H,(H,22,23)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191681
PNG
(CHEMBL3939592)
Show SMILES CC(CN1CCOCC1)Nc1ccc2cc(ccc2n1)-n1cnc2cnc3cnc(cc3c12)-c1ccncc1
Show InChI InChI=1/C30H28N8O/c1-20(18-37-10-12-39-13-11-37)35-29-5-2-22-14-23(3-4-25(22)36-29)38-19-34-28-17-33-27-16-32-26(15-24(27)30(28)38)21-6-8-31-9-7-21/h2-9,14-17,19-20H,10-13,18H2,1H3,(H,35,36)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of COT in LPS-stimulated human whole blood assessed as reduction in TNFalpha release incubated for 30 mins followed by stimulation with LP...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191943
PNG
(CHEMBL3910291)
Show SMILES Cc1cccc(c1)-c1cc2c3n(cnc3cnc2cn1)-c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C23H16N6/c1-14-3-2-4-15(7-14)19-9-17-21(10-24-19)25-11-22-23(17)29(13-28-22)16-5-6-18-20(8-16)27-12-26-18/h2-13H,1H3,(H,26,27)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191774
PNG
(CHEMBL3899461)
Show SMILES C(CN1CCOCC1)Nc1nc2ccc(cc2s1)-n1cnc2cnc3cnc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C28H25N7OS/c1-2-4-19(5-3-1)23-15-21-24(16-30-23)31-17-25-27(21)35(18-32-25)20-6-7-22-26(14-20)37-28(33-22)29-8-9-34-10-12-36-13-11-34/h1-7,14-18H,8-13H2,(H,29,33)
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n/an/a 270n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of COT in LPS-stimulated human PBMC assessed as reduction in TNFalpha release incubated for 1 hr followed by stimulation with LPS for 4 hr...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191676
PNG
(CHEMBL3918552)
Show SMILES CC(CN1CCOCC1)Nc1nc2ccc(cc2s1)-n1cnc2cnc3cnc(cc3c12)-c1cccs1
Show InChI InChI=1/C27H25N7OS2/c1-17(15-33-6-8-35-9-7-33)31-27-32-20-5-4-18(11-25(20)37-27)34-16-30-23-14-29-22-13-28-21(12-19(22)26(23)34)24-3-2-10-36-24/h2-5,10-14,16-17H,6-9,15H2,1H3,(H,31,32)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of COT in LPS-stimulated human PBMC assessed as reduction in ERK1/2 phosphorylation incubated for 60 mins followed by LPS stimulation for ...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191774
PNG
(CHEMBL3899461)
Show SMILES C(CN1CCOCC1)Nc1nc2ccc(cc2s1)-n1cnc2cnc3cnc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C28H25N7OS/c1-2-4-19(5-3-1)23-15-21-24(16-30-23)31-17-25-27(21)35(18-32-25)20-6-7-22-26(14-20)37-28(33-22)29-8-9-34-10-12-36-13-11-34/h1-7,14-18H,8-13H2,(H,29,33)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of COT in LPS-stimulated human PBMC assessed as reduction in ERK1/2 phosphorylation incubated for 60 mins followed by LPS stimulation for ...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191676
PNG
(CHEMBL3918552)
Show SMILES CC(CN1CCOCC1)Nc1nc2ccc(cc2s1)-n1cnc2cnc3cnc(cc3c12)-c1cccs1
Show InChI InChI=1/C27H25N7OS2/c1-17(15-33-6-8-35-9-7-33)31-27-32-20-5-4-18(11-25(20)37-27)34-16-30-23-14-29-22-13-28-21(12-19(22)26(23)34)24-3-2-10-36-24/h2-5,10-14,16-17H,6-9,15H2,1H3,(H,31,32)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of COT in LPS-stimulated human PBMC assessed as reduction in TNFalpha release incubated for 1 hr followed by stimulation with LPS for 4 hr...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191677
PNG
(CHEMBL3910848)
Show SMILES c1cc(cs1)-c1cc2c3n(cnc3cnc2cn1)-c1ccc2ncccc2c1
Show InChI InChI=1S/C22H13N5S/c1-2-14-8-16(3-4-18(14)23-6-1)27-13-26-21-11-25-20-10-24-19(9-17(20)22(21)27)15-5-7-28-12-15/h1-13H
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of COT in LPS-stimulated human PBMC assessed as reduction in TNFalpha release incubated for 1 hr followed by stimulation with LPS for 4 hr...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191677
PNG
(CHEMBL3910848)
Show SMILES c1cc(cs1)-c1cc2c3n(cnc3cnc2cn1)-c1ccc2ncccc2c1
Show InChI InChI=1S/C22H13N5S/c1-2-14-8-16(3-4-18(14)23-6-1)27-13-26-21-11-25-20-10-24-19(9-17(20)22(21)27)15-5-7-28-12-15/h1-13H
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of COT in LPS-stimulated human PBMC assessed as reduction in ERK1/2 phosphorylation incubated for 60 mins followed by LPS stimulation for ...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191771
PNG
(CHEMBL3890505)
Show SMILES CC(CN1CCOCC1)Nc1nc2ccc(cc2s1)-n1cnc2cnc3cnc(cc3c12)-c1ccncc1
Show InChI InChI=1/C28H26N8OS/c1-18(16-35-8-10-37-11-9-35)33-28-34-22-3-2-20(12-26(22)38-28)36-17-32-25-15-31-24-14-30-23(13-21(24)27(25)36)19-4-6-29-7-5-19/h2-7,12-15,17-18H,8-11,16H2,1H3,(H,33,34)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of COT in LPS-stimulated human whole blood assessed as reduction in TNFalpha release incubated for 30 mins followed by stimulation with LP...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191776
PNG
(CHEMBL3944315)
Show SMILES C[C@@H](CN1CCOCC1)Nc1ccc2cc(ccc2n1)-n1cnc2cnc3cnc(cc3c12)-c1ccncc1 |r|
Show InChI InChI=1/C30H28N8O/c1-20(18-37-10-12-39-13-11-37)35-29-5-2-22-14-23(3-4-25(22)36-29)38-19-34-28-17-33-27-16-32-26(15-24(27)30(28)38)21-6-8-31-9-7-21/h2-9,14-17,19-20H,10-13,18H2,1H3,(H,35,36)/t20-/s2
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of COT in LPS-stimulated human PBMC assessed as reduction in ERK1/2 phosphorylation incubated for 60 mins followed by LPS stimulation for ...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191778
PNG
(CHEMBL3937086)
Show SMILES c1nc2ccc(cc2[nH]1)-n1cnc2cnc3cnc(cc3c12)-c1cccnc1
Show InChI InChI=1S/C21H13N7/c1-2-13(8-22-5-1)17-7-15-19(9-23-17)24-10-20-21(15)28(12-27-20)14-3-4-16-18(6-14)26-11-25-16/h1-12H,(H,25,26)
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n/an/a 670n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191678
PNG
(CHEMBL3909782)
Show SMILES Clc1cc2ncc3ncn(-c4ccc(CC#N)cc4)c3c2cc1-c1ccsc1
Show InChI InChI=1S/C22H13ClN4S/c23-19-10-20-18(9-17(19)15-6-8-28-12-15)22-21(11-25-20)26-13-27(22)16-3-1-14(2-4-16)5-7-24/h1-4,6,8-13H,5H2
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191769
PNG
(CHEMBL3927501)
Show SMILES CC(CN1CCOCC1)Nc1nc2ccc(cc2s1)-n1cnc2cnc3cnc(cc3c12)-c1ccccc1
Show InChI InChI=1/C29H27N7OS/c1-19(17-35-9-11-37-12-10-35)33-29-34-23-8-7-21(13-27(23)38-29)36-18-32-26-16-31-25-15-30-24(14-22(25)28(26)36)20-5-3-2-4-6-20/h2-8,13-16,18-19H,9-12,17H2,1H3,(H,33,34)
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n/an/a 1.01E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of COT in LPS-stimulated human whole blood assessed as reduction in TNFalpha release incubated for 30 mins followed by stimulation with LP...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191776
PNG
(CHEMBL3944315)
Show SMILES C[C@@H](CN1CCOCC1)Nc1ccc2cc(ccc2n1)-n1cnc2cnc3cnc(cc3c12)-c1ccncc1 |r|
Show InChI InChI=1/C30H28N8O/c1-20(18-37-10-12-39-13-11-37)35-29-5-2-22-14-23(3-4-25(22)36-29)38-19-34-28-17-33-27-16-32-26(15-24(27)30(28)38)21-6-8-31-9-7-21/h2-9,14-17,19-20H,10-13,18H2,1H3,(H,35,36)/t20-/s2
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n/an/a 1.25E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of COT in LPS-stimulated human PBMC assessed as reduction in TNFalpha release incubated for 1 hr followed by stimulation with LPS for 4 hr...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191944
PNG
(CHEMBL3987154)
Show SMILES Cc1ccc(cc1)-c1cc2c3n(cnc3cnc2cn1)-c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C23H16N6/c1-14-2-4-15(5-3-14)19-9-17-21(10-24-19)25-11-22-23(17)29(13-28-22)16-6-7-18-20(8-16)27-12-26-18/h2-13H,1H3,(H,26,27)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191781
PNG
(CHEMBL3911325)
Show SMILES C1CCC(=CC1)c1cc2c3n(cnc3cnc2cn1)-c1ccc2nc[nH]c2c1 |c:3|
Show InChI InChI=1S/C22H18N6/c1-2-4-14(5-3-1)18-9-16-20(10-23-18)24-11-21-22(16)28(13-27-21)15-6-7-17-19(8-15)26-12-25-17/h4,6-13H,1-3,5H2,(H,25,26)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50191677
PNG
(CHEMBL3910848)
Show SMILES c1cc(cs1)-c1cc2c3n(cnc3cnc2cn1)-c1ccc2ncccc2c1
Show InChI InChI=1S/C22H13N5S/c1-2-14-8-16(3-4-18(14)23-6-1)27-13-26-21-11-25-20-10-24-19(9-17(20)22(21)27)15-5-7-28-12-15/h1-13H
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n/an/a<1.40E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MKNK2 (unknown origin) after 60 mins in presence of ATP by caliper microfluidic mobility shift assay


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191677
PNG
(CHEMBL3910848)
Show SMILES c1cc(cs1)-c1cc2c3n(cnc3cnc2cn1)-c1ccc2ncccc2c1
Show InChI InChI=1S/C22H13N5S/c1-2-14-8-16(3-4-18(14)23-6-1)27-13-26-21-11-25-20-10-24-19(9-17(20)22(21)27)15-5-7-28-12-15/h1-13H
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n/an/a 1.78E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of COT in LPS-stimulated human whole blood assessed as reduction in TNFalpha release incubated for 30 mins followed by stimulation with LP...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191774
PNG
(CHEMBL3899461)
Show SMILES C(CN1CCOCC1)Nc1nc2ccc(cc2s1)-n1cnc2cnc3cnc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C28H25N7OS/c1-2-4-19(5-3-1)23-15-21-24(16-30-23)31-17-25-27(21)35(18-32-25)20-6-7-22-26(14-20)37-28(33-22)29-8-9-34-10-12-36-13-11-34/h1-7,14-18H,8-13H2,(H,29,33)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of COT in LPS-stimulated human whole blood assessed as reduction in TNFalpha release incubated for 30 mins followed by stimulation with LP...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191777
PNG
(CHEMBL3928698)
Show SMILES N#CCc1ccc(cc1)-n1cnc2cnc3ccc(cc3c12)-c1ccsc1
Show InChI InChI=1S/C22H14N4S/c23-9-7-15-1-4-18(5-2-15)26-14-25-21-12-24-20-6-3-16(11-19(20)22(21)26)17-8-10-27-13-17/h1-6,8,10-14H,7H2
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n/an/a 2.60E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191680
PNG
(CHEMBL3981321)
Show SMILES C1CCN(CC1)c1cc2c3n(cnc3cnc2cn1)-c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C21H19N7/c1-2-6-27(7-3-1)20-9-15-18(10-23-20)22-11-19-21(15)28(13-26-19)14-4-5-16-17(8-14)25-12-24-16/h4-5,8-13H,1-3,6-7H2,(H,24,25)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191676
PNG
(CHEMBL3918552)
Show SMILES CC(CN1CCOCC1)Nc1nc2ccc(cc2s1)-n1cnc2cnc3cnc(cc3c12)-c1cccs1
Show InChI InChI=1/C27H25N7OS2/c1-17(15-33-6-8-35-9-7-33)31-27-32-20-5-4-18(11-25(20)37-27)34-16-30-23-14-29-22-13-28-21(12-19(22)26(23)34)24-3-2-10-36-24/h2-5,10-14,16-17H,6-9,15H2,1H3,(H,31,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of COT in LPS-stimulated human whole blood assessed as reduction in TNFalpha release incubated for 30 mins followed by stimulation with LP...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191679
PNG
(CHEMBL3902393)
Show SMILES Clc1cc2c3n(cnc3cnc2cn1)-c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C16H9ClN6/c17-15-4-10-13(5-19-15)18-6-14-16(10)23(8-22-14)9-1-2-11-12(3-9)21-7-20-11/h1-8H,(H,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM104963
PNG
(CHEMBL507361 | US8575391, Q)
Show SMILES OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F |r|
Show InChI InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%