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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Menin' and Ligand = 'BDBM50496333'   
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))		BDBM50496333
PNG
(CHEMBL3126192)
Show SMILES OC(C1CCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1nccs1
Show InChI InChI=1S/C24H31N3O2S/c25-18-19-6-8-22(9-7-19)29-16-3-13-27-14-10-21(11-15-27)24(28,20-4-1-2-5-20)23-26-12-17-30-23/h6-9,12,17,20-21,28H,1-5,10-11,13-16H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 242n/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