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4 similar compounds to monomer 50059205

Compile data set for download or QSAR
Wt: 470.4
BDBM50059203
Wt: 428.4
BDBM50059206
Wt: 429.3
BDBM50059204
Wt: 456.4
BDBM50059226

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50059203,50059206,50059204,50059226   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059206
PNG
(CHEMBL3393321)
Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCC(F)(F)C2)C2CCCNC2)c1
Show InChI InChI=1S/C19H21F5N6/c20-18(21)4-7-30(11-18)17-27-14(12-2-1-5-25-10-12)9-16(29-17)28-15-8-13(3-6-26-15)19(22,23)24/h3,6,8-9,12,25H,1-2,4-5,7,10-11H2,(H,26,27,28,29)
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7n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059203
PNG
(CHEMBL3393324)
Show SMILES CC(=O)N1CCC(CC1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)N1CCC(F)(F)C1
Show InChI InChI=1S/C21H23F5N6O/c1-13(33)31-7-3-14(4-8-31)16-11-18(29-17-10-15(2-6-27-17)21(24,25)26)30-19(28-16)32-9-5-20(22,23)12-32/h2,6,10-11,14H,3-5,7-9,12H2,1H3,(H,27,28,29,30)
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33n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059204
PNG
(CHEMBL3393323)
Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCC(F)(F)C2)C2CCOCC2)c1
Show InChI InChI=1S/C19H20F5N5O/c20-18(21)4-6-29(11-18)17-26-14(12-2-7-30-8-3-12)10-16(28-17)27-15-9-13(1-5-25-15)19(22,23)24/h1,5,9-10,12H,2-4,6-8,11H2,(H,25,26,27,28)
PDB

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41n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059226
PNG
(CHEMBL3393325)
Show SMILES CC(=O)N1CCC(CC1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)N1CC(F)(F)C1
Show InChI InChI=1S/C20H21F5N6O/c1-12(32)30-6-3-13(4-7-30)15-9-17(29-18(27-15)31-10-19(21,22)11-31)28-16-8-14(2-5-26-16)20(23,24)25/h2,5,8-9,13H,3-4,6-7,10-11H2,1H3,(H,26,27,28,29)
PDB

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PubMed
166n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059204
PNG
(CHEMBL3393323)
Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCC(F)(F)C2)C2CCOCC2)c1
Show InChI InChI=1S/C19H20F5N5O/c20-18(21)4-6-29(11-18)17-26-14(12-2-7-30-8-3-12)10-16(28-17)27-15-9-13(1-5-25-15)19(22,23)24/h1,5,9-10,12H,2-4,6-8,11H2,(H,25,26,27,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 440n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-based assay


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059203
PNG
(CHEMBL3393324)
Show SMILES CC(=O)N1CCC(CC1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)N1CCC(F)(F)C1
Show InChI InChI=1S/C21H23F5N6O/c1-13(33)31-7-3-14(4-8-31)16-11-18(29-17-10-15(2-6-27-17)21(24,25)26)30-19(28-16)32-9-5-20(22,23)12-32/h2,6,10-11,14H,3-5,7-9,12H2,1H3,(H,27,28,29,30)
PDB

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UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-based assay


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059206
PNG
(CHEMBL3393321)
Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCC(F)(F)C2)C2CCCNC2)c1
Show InChI InChI=1S/C19H21F5N6/c20-18(21)4-7-30(11-18)17-27-14(12-2-1-5-25-10-12)9-16(29-17)28-15-8-13(3-6-26-15)19(22,23)24/h3,6,8-9,12,25H,1-2,4-5,7,10-11H2,(H,26,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 408n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-based assay


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair