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BDBM50117748 CHEMBL3612085

SMILES: Cc1nnc(s1)N1CCN(CC1)c1ncnc2sc(CC(F)(F)F)cc12

InChI Key: InChIKey=WDNNGANTDITWSR-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 = 50117748   
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
Menin


(Homo sapiens (Human))
BDBM50117748
PNG
(CHEMBL3612085)
Show SMILES Cc1nnc(s1)N1CCN(CC1)c1ncnc2sc(CC(F)(F)F)cc12
Show InChI InChI=1S/C15H15F3N6S2/c1-9-21-22-14(25-9)24-4-2-23(3-5-24)12-11-6-10(7-15(16,17)18)26-13(11)20-8-19-12/h6,8H,2-5,7H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
PubMed
n/an/a 779n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal thioredoxin His6-tagged full-length human menin expressed in Escherichia coli Rosetta (DE3) cells assessed as reduction in m...


J Med Chem 58: 7465-74 (2015)


BindingDB Entry DOI: 10.7270/Q25H7J2H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)