BDBM50117744 CHEMBL3613789

SMILES: CC1(C)CN=C(S1)N1CCN(CC1)c1ncnc2sc(CC(F)F)cc12

InChI Key: InChIKey=CCXCUJOBJWILJV-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 = 50117744   

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))	BDBM50117744 (CHEMBL3613789) Show SMILES CC1(C)CN=C(S1)N1CCN(CC1)c1ncnc2sc(CC(F)F)cc12 |c:4| Show InChI InChI=1S/C17H21F2N5S2/c1-17(2)9-20-16(26-17)24-5-3-23(4-6-24)14-12-7-11(8-13(18)19)25-15(12)22-10-21-14/h7,10,13H,3-6,8-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of N-terminal thioredoxin His6-tagged full-length human menin expressed in Escherichia coli Rosetta (DE3) cells assessed as reduction in m...				J Med Chem 58: 7465-74 (2015) BindingDB Entry DOI: 10.7270/Q25H7J2H
					More data for this Ligand-Target Pair				3D Structure (crystal)