BindingDB logo
myBDB logout

BDBM50496334 CHEMBL3126189

SMILES: OC(C1CCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1cc(F)cc(F)c1

InChI Key: InChIKey=OAOHJPWUVQFOCX-UHFFFAOYSA-N

Data: 1 IC50

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 = 50496334   
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))
BDBM50496334
PNG
(CHEMBL3126189)
Show SMILES OC(C1CCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C27H32F2N2O2/c28-24-16-23(17-25(29)18-24)27(32,21-4-1-2-5-21)22-10-13-31(14-11-22)12-3-15-33-26-8-6-20(19-30)7-9-26/h6-9,16-18,21-22,32H,1-5,10-15H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 436n/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