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BDBM50208921 CHEMBL3884929

SMILES: CC(C)(N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc12)c1ccccc1

InChI Key: InChIKey=PIOSKPWAMVZLEX-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50208921   
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
Serine/threonine-protein kinase c-TAK1


(Homo sapiens (Human))
BDBM50208921
PNG
(CHEMBL3884929)
Show SMILES CC(C)(N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc12)c1ccccc1
Show InChI InChI=1S/C22H23N5O/c1-21(2)17-14-24-20(25-16-11-8-12-23-13-16)26-18(17)27(19(21)28)22(3,4)15-9-6-5-7-10-15/h5-14H,1-4H3,(H,24,25,26)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.64E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human MARK3 using biotin labeled peptide substrate by HTRF based assay


Bioorg Med Chem Lett 27: 114-120 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.068
BindingDB Entry DOI: 10.7270/Q2N018JC
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 4


(Homo sapiens (Human))
BDBM50208921
PNG
(CHEMBL3884929)
Show SMILES CC(C)(N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc12)c1ccccc1
Show InChI InChI=1S/C22H23N5O/c1-21(2)17-14-24-20(25-16-11-8-12-23-13-16)26-18(17)27(19(21)28)22(3,4)15-9-6-5-7-10-15/h5-14H,1-4H3,(H,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.76E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human MARK4 expressed in HEK293T cells coexpressing tau protein assessed as reduction in tau phosphorylation at Ser262 residues by Alph...


Bioorg Med Chem Lett 27: 114-120 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.068
BindingDB Entry DOI: 10.7270/Q2N018JC
More data for this
Ligand-Target Pair