BindingDB logo
myBDB logout

null

SMILES: CC(=O)N1CCC(CC1)N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc12

InChI Key: InChIKey=XWFGQJYJKNNTLZ-UHFFFAOYSA-N

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 1 hit for monomerid = 50209095   
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
MAP/microtubule affinity-regulating kinase 3


(Homo sapiens (Human))		BDBM50209095
PNG
(CHEMBL3884277)
Show SMILES CC(=O)N1CCC(CC1)N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc12
Show InChI InChI=1S/C20H24N6O2/c1-13(27)25-9-6-15(7-10-25)26-17-16(20(2,3)18(26)28)12-22-19(24-17)23-14-5-4-8-21-11-14/h4-5,8,11-12,15H,6-7,9-10H2,1-3H3,(H,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of MARK3 (unknown origin)

Bioorg Med Chem Lett 27: 109-113 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.066
BindingDB Entry DOI: 10.7270/Q20867B1
More data for this
Ligand-Target Pair