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SMILES: NC(=O)c1ccc2OCCc3ccsc3-c2n1

InChI Key: InChIKey=JQCNDFJWLIDNDO-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50266977   
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 14


(Homo sapiens (Human))
BDBM50266977
PNG
(CHEMBL4086137)
Show SMILES NC(=O)c1ccc2OCCc3ccsc3-c2n1
Show InChI InChI=1S/C12H10N2O2S/c13-12(15)8-1-2-9-10(14-8)11-7(3-5-16-9)4-6-17-11/h1-2,4,6H,3,5H2,(H2,13,15)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
1.28E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay


J Med Chem 60: 627-640 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01363
BindingDB Entry DOI: 10.7270/Q2K35X4S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)