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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Menin' and Ligand = 'BDBM50496328'   
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))
BDBM50496328
PNG
(CHEMBL3126187)
Show SMILES O[C@](C1CCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C27H34N2O2/c28-21-22-11-13-26(14-12-22)31-20-6-17-29-18-15-25(16-19-29)27(30,24-9-4-5-10-24)23-7-2-1-3-8-23/h1-3,7-8,11-14,24-25,30H,4-6,9-10,15-20H2/t27-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 270n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged menin-biotinylated MLL (4 to 15) interaction after 1 hr by HTRF assay


J Med Chem 57: 1543-56 (2014)


Article DOI: 10.1021/jm401868d
BindingDB Entry DOI: 10.7270/Q2XS5ZCB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Menin


(Homo sapiens (Human))
BDBM50496328
PNG
(CHEMBL3126187)
Show SMILES O[C@](C1CCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C27H34N2O2/c28-21-22-11-13-26(14-12-22)31-20-6-17-29-18-15-25(16-19-29)27(30,24-9-4-5-10-24)23-7-2-1-3-8-23/h1-3,7-8,11-14,24-25,30H,4-6,9-10,15-20H2/t27-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 285n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to human menin by isothermal titration calorimetric analysis


J Med Chem 57: 1543-56 (2014)


Article DOI: 10.1021/jm401868d
BindingDB Entry DOI: 10.7270/Q2XS5ZCB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)