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BDBM50058687 CHEMBL3326742

SMILES: N(c1ccncc1)c1ncnn2cc(cc12)-c1ccccc1

InChI Key: InChIKey=KOECVTWSFPGZJE-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50058687   
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 kinase 4


(Homo sapiens (Human))
BDBM50058687
PNG
(CHEMBL3326742)
Show SMILES N(c1ccncc1)c1ncnn2cc(cc12)-c1ccccc1
Show InChI InChI=1S/C17H13N5/c1-2-4-13(5-3-1)14-10-16-17(19-12-20-22(16)11-14)21-15-6-8-18-9-7-15/h1-12H,(H,18,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human MAP4K4 using LGRDKYKTLRQIRQ-COOH peptide substrate by LC3K assay


Bioorg Med Chem Lett 24: 4546-52 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)