BDBM50496347 CHEMBL3126191

SMILES: OC(C1CCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccn1

InChI Key: InChIKey=CXFJNJZPBYIKCK-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50496347   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Menin (Homo sapiens (Human))	BDBM50496347 (CHEMBL3126191) Show SMILES OC(C1CCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccn1 Show InChI InChI=1S/C26H33N3O2/c27-20-21-9-11-24(12-10-21)31-19-5-16-29-17-13-23(14-18-29)26(30,22-6-1-2-7-22)25-8-3-4-15-28-25/h3-4,8-12,15,22-23,30H,1-2,5-7,13-14,16-19H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	302	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)