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2 similar compounds to monomer 50059198

Compile data set for download or QSAR
Wt: 349.4
BDBM50059196
Wt: 363.4
BDBM50059197

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50059196,50059197   
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))
BDBM50059197
PNG
(CHEMBL3393339)
Show SMILES CCc1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1
Show InChI InChI=1S/C21H25N5O/c1-2-18-10-17(16-4-7-26(8-5-16)19-13-27-14-19)11-21(24-18)25-20-9-15(12-22)3-6-23-20/h3,6,9-11,16,19H,2,4-5,7-8,13-14H2,1H3,(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
18n/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))
BDBM50059196
PNG
(CHEMBL3393338)
Show SMILES Cc1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1
Show InChI InChI=1S/C20H23N5O/c1-14-8-17(16-3-6-25(7-4-16)18-12-26-13-18)10-20(23-14)24-19-9-15(11-21)2-5-22-19/h2,5,8-10,16,18H,3-4,6-7,12-13H2,1H3,(H,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
93n/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))
BDBM50059196
PNG
(CHEMBL3393338)
Show SMILES Cc1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1
Show InChI InChI=1S/C20H23N5O/c1-14-8-17(16-3-6-25(7-4-16)18-12-26-13-18)10-20(23-14)24-19-9-15(11-21)2-5-22-19/h2,5,8-10,16,18H,3-4,6-7,12-13H2,1H3,(H,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/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))
BDBM50059197
PNG
(CHEMBL3393339)
Show SMILES CCc1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1
Show InChI InChI=1S/C21H25N5O/c1-2-18-10-17(16-4-7-26(8-5-16)19-13-27-14-19)11-21(24-18)25-20-9-15(12-22)3-6-23-20/h3,6,9-11,16,19H,2,4-5,7-8,13-14H2,1H3,(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 213n/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