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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Menin' and Ligand = 'BDBM50117743'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Menin


(Homo sapiens (Human))
BDBM50117743
PNG
(CHEMBL3613790)
Show SMILES CC1(C)CN=C(S1)N1CCN(CC1)c1ncnc2sc(cc12)C(F)(F)C(F)(F)F |c:4|
Show InChI InChI=1S/C17H18F5N5S2/c1-15(2)8-23-14(29-15)27-5-3-26(4-6-27)12-10-7-11(16(18,19)17(20,21)22)28-13(10)25-9-24-12/h7,9H,3-6,8H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
PubMed
n/an/a 674n/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)