BDBM50455860 CHEMBL4203695

SMILES: Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2n(CCN3CCNCC3)c(cc12)C#N

InChI Key: InChIKey=MRTDAGRWCGGOBC-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 = 50455860   

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/Histone-lysine N-methyltransferase MLL (Homo sapiens (Human))	BDBM50455860 (CHEMBL4203695) Show SMILES Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2n(CCN3CCNCC3)c(cc12)C#N Show InChI InChI=1S/C30H35F3N8S/c1-20-21(2-3-27-25(20)14-23(17-34)41(27)13-12-39-10-6-35-7-11-39)18-40-8-4-22(5-9-40)38-28-26-15-24(16-30(31,32)33)42-29(26)37-19-36-28/h2-3,14-15,19,22,35H,4-13,16,18H2,1H3,(H,36,37,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled MLL4-43 from full length human menin expressed in Escherichia coli BL21 (DE3) cells after 3 hrs by fluorescence p...				J Med Chem 61: 4832-4850 (2018) Article DOI: 10.1021/acs.jmedchem.8b00071 BindingDB Entry DOI: 10.7270/Q2Z03BRF
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