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BDBM50496337 CHEMBL3126182

SMILES: OC(C1CC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1

InChI Key: InChIKey=SZRJACHFBPNVHW-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50496337   
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))		BDBM50496337
PNG
(CHEMBL3126182)
Show SMILES OC(C1CC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1
Show InChI InChI=1S/C25H30N2O2/c26-19-20-7-11-24(12-8-20)29-18-4-15-27-16-13-23(14-17-27)25(28,22-9-10-22)21-5-2-1-3-6-21/h1-3,5-8,11-12,22-23,28H,4,9-10,13-18H2
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.12E+4n/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