BDBM50156122 CHEMBL3781030

SMILES: Oc1cc2n(Cc3cn[nH]c3)c(cc2cc1CN1CCC(CC1)Nc1ncnc2sc(CC(F)(F)F)cc12)C#N

InChI Key: InChIKey=QXLJOBRSTCFLMC-UHFFFAOYSA-N

Data: 2 Kd

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 2 hits for monomerid = 50156122   

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))	BDBM50156122 (CHEMBL3781030) Show SMILES Oc1cc2n(Cc3cn[nH]c3)c(cc2cc1CN1CCC(CC1)Nc1ncnc2sc(CC(F)(F)F)cc12)C#N Show InChI InChI=1S/C27H25F3N8OS/c28-27(29,30)9-21-7-22-25(32-15-33-26(22)40-21)36-19-1-3-37(4-2-19)14-18-5-17-6-20(10-31)38(23(17)8-24(18)39)13-16-11-34-35-12-16/h5-8,11-12,15,19,39H,1-4,9,13-14H2,(H,34,35)(H,32,33,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human Menin expressed in Escherichia coli Rosetta2 (DE3) cells by isothermal titration calorimetry				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50156122 (CHEMBL3781030) Show SMILES Oc1cc2n(Cc3cn[nH]c3)c(cc2cc1CN1CCC(CC1)Nc1ncnc2sc(CC(F)(F)F)cc12)C#N Show InChI InChI=1S/C27H25F3N8OS/c28-27(29,30)9-21-7-22-25(32-15-33-26(22)40-21)36-19-1-3-37(4-2-19)14-18-5-17-6-20(10-31)38(23(17)8-24(18)39)13-16-11-34-35-12-16/h5-8,11-12,15,19,39H,1-4,9,13-14H2,(H,34,35)(H,32,33,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to menin (unknown origin)				J Med Chem 59: 892-913 (2016) BindingDB Entry DOI: 10.7270/Q2M32XM7
					More data for this Ligand-Target Pair